REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3guu_1_A DATA FIRST_RESID 11 DATA SEQUENCE AALPNPYDDP FYTTPSNIGT FAKGQVIQSR KVPTDIGNAN NAASFQLQYR DATA SEQUENCE TTNTQNEAVA DVATVWIPAK PASPPKIFSY QVYEDATALD cAPSYSYLTG DATA SEQUENCE LDQPNKVTAV LDTPIIIGWA LQQGYYVVSS DHEGFKAAFI AGYEEGMAIL DATA SEQUENCE DGIRALKNYQ NLPSDSKVAL EGYSGGAHAT VWATSLAESY APELNIVGAS DATA SEQUENCE HGGTPVSAKD TFTFLNGGPF AGFALAGVSG LSLAHPDMES FIEARLNAKG DATA SEQUENCE QRTLKQIRGR GFcLPQVVLT YPFLNVFSLV NDTNLLNEAP IASILKQETV DATA SEQUENCE VQAEASYTVS VPKFPRFIWH AIPDEIVPYQ PAATYVKEQc AKGANINFSP DATA SEQUENCE YPIAEHLTAE IFGLVPSLWF IKQAFDGTTP KVIcGTPIPA IAGITTPSAD DATA SEQUENCE QVLGSDLANQ LRSLDGKQSA FGKPFGPITP P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.631 177.584 0.079 0.000 1.274 11 A CA 0.000 52.065 52.037 0.046 0.000 0.836 11 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 12 A N -0.879 121.977 122.820 0.060 0.000 2.125 12 A HA 0.405 4.726 4.320 0.001 0.000 0.219 12 A C 0.747 178.373 177.584 0.069 0.000 1.156 12 A CA 1.687 53.755 52.037 0.051 0.000 0.671 12 A CB -0.630 18.388 19.000 0.031 0.000 0.794 12 A HN 0.788 nan 8.150 nan 0.000 0.459 13 L N -1.140 120.163 121.223 0.133 0.000 2.303 13 L HA 0.408 4.749 4.340 0.001 0.000 0.256 13 L C -2.275 174.679 176.870 0.140 0.000 1.034 13 L CA -2.584 52.324 54.840 0.114 0.000 0.832 13 L CB 2.021 44.143 42.059 0.106 0.000 1.403 13 L HN -0.055 nan 8.230 nan 0.000 0.419 14 P HA -0.018 nan 4.420 nan 0.000 0.271 14 P C -0.874 176.353 177.300 -0.123 0.000 1.244 14 P CA -0.346 62.762 63.100 0.012 0.000 0.793 14 P CB 0.376 32.071 31.700 -0.008 0.000 0.984 15 N N 1.205 119.797 118.700 -0.180 0.000 2.412 15 N HA -0.040 4.701 4.740 0.001 0.000 0.254 15 N C -1.488 173.723 175.510 -0.499 0.000 1.232 15 N CA -0.870 51.898 53.050 -0.470 0.000 0.880 15 N CB 0.280 38.668 38.487 -0.165 0.000 1.076 15 N HN 0.143 nan 8.380 nan 0.000 0.458 16 P HA -0.125 nan 4.420 nan 0.000 0.217 16 P C 0.618 177.580 177.300 -0.563 0.000 1.148 16 P CA 1.350 63.904 63.100 -0.910 0.000 0.828 16 P CB -0.038 30.738 31.700 -1.540 0.000 0.783 17 Y N -0.272 119.800 120.300 -0.380 0.000 2.315 17 Y HA -0.168 4.382 4.550 0.000 0.000 0.288 17 Y C 1.654 177.459 175.900 -0.158 0.000 1.154 17 Y CA 1.273 59.237 58.100 -0.227 0.000 1.229 17 Y CB -0.648 37.714 38.460 -0.164 0.000 0.980 17 Y HN 0.003 nan 8.280 nan 0.000 0.540 18 D N -0.810 119.582 120.400 -0.014 0.000 2.339 18 D HA -0.002 4.638 4.640 0.001 0.000 0.217 18 D C -0.310 175.984 176.300 -0.011 0.000 1.050 18 D CA 0.527 54.523 54.000 -0.007 0.000 0.856 18 D CB 0.095 40.887 40.800 -0.014 0.000 0.922 18 D HN 0.206 nan 8.370 nan 0.000 0.518 19 D N 0.302 120.691 120.400 -0.019 0.000 2.481 19 D HA 0.146 4.787 4.640 0.001 0.000 0.246 19 D C -1.762 174.582 176.300 0.073 0.000 1.109 19 D CA -2.110 51.921 54.000 0.052 0.000 0.845 19 D CB 2.544 43.410 40.800 0.111 0.000 1.160 19 D HN -0.170 nan 8.370 nan 0.000 0.534 20 P HA -0.097 nan 4.420 nan 0.000 0.226 20 P C 1.600 178.917 177.300 0.027 0.000 1.153 20 P CA 0.238 63.352 63.100 0.024 0.000 0.777 20 P CB 0.106 31.823 31.700 0.029 0.000 0.794 21 F N 0.295 120.208 119.950 -0.062 0.000 2.192 21 F HA -0.175 4.353 4.527 0.002 0.000 0.301 21 F C 1.153 176.783 175.800 -0.285 0.000 1.079 21 F CA 1.440 59.356 58.000 -0.139 0.000 1.303 21 F CB -0.616 38.295 39.000 -0.149 0.000 1.024 21 F HN -0.133 nan 8.300 nan 0.000 0.494 22 Y N 0.303 120.483 120.300 -0.199 0.000 2.933 22 Y HA 0.237 4.787 4.550 0.000 0.000 0.380 22 Y C 0.446 175.672 175.900 -1.123 0.000 1.056 22 Y CA -0.214 57.416 58.100 -0.784 0.000 1.704 22 Y CB -0.548 37.513 38.460 -0.664 0.000 1.558 22 Y HN -0.135 nan 8.280 nan 0.000 0.501 23 T N -4.063 110.185 114.554 -0.510 0.000 2.896 23 T HA 0.471 4.821 4.350 0.001 0.000 0.297 23 T C -0.294 174.459 174.700 0.088 0.000 1.108 23 T CA -0.951 61.011 62.100 -0.230 0.000 1.004 23 T CB 1.945 70.746 68.868 -0.112 0.000 1.159 23 T HN -0.095 nan 8.240 nan 0.000 0.499 24 T N 4.107 118.751 114.554 0.150 0.000 2.744 24 T HA 0.578 4.929 4.350 0.001 0.000 0.291 24 T C -2.148 172.569 174.700 0.029 0.000 0.957 24 T CA -0.755 61.409 62.100 0.108 0.000 1.002 24 T CB 0.823 69.751 68.868 0.099 0.000 0.919 24 T HN 0.629 nan 8.240 nan 0.000 0.468 25 P HA 0.211 nan 4.420 nan 0.000 0.276 25 P C 0.859 178.185 177.300 0.042 0.000 1.244 25 P CA -0.490 62.620 63.100 0.017 0.000 0.801 25 P CB 0.919 32.629 31.700 0.016 0.000 1.006 26 S N 0.642 116.370 115.700 0.045 0.000 2.474 26 S HA -0.141 4.330 4.470 0.001 0.000 0.235 26 S C 1.082 175.719 174.600 0.060 0.000 0.997 26 S CA 0.732 58.958 58.200 0.044 0.000 0.949 26 S CB -0.970 62.249 63.200 0.032 0.000 0.766 26 S HN 0.637 nan 8.310 nan 0.000 0.517 27 N N 0.949 119.705 118.700 0.094 0.000 2.327 27 N HA 0.111 4.851 4.740 0.001 0.000 0.231 27 N C 0.896 176.536 175.510 0.215 0.000 1.130 27 N CA -0.285 52.835 53.050 0.116 0.000 0.845 27 N CB -0.404 38.142 38.487 0.098 0.000 1.073 27 N HN 0.361 nan 8.380 nan 0.000 0.496 28 I N 1.215 121.900 120.570 0.190 0.000 2.248 28 I HA -0.129 4.042 4.170 0.001 0.000 0.248 28 I C 2.011 178.276 176.117 0.246 0.000 1.107 28 I CA 1.191 62.623 61.300 0.220 0.000 1.373 28 I CB -0.733 37.300 38.000 0.055 0.000 1.055 28 I HN 0.322 nan 8.210 nan 0.000 0.418 29 G N -1.254 107.625 108.800 0.132 0.000 2.470 29 G HA2 -0.267 3.693 3.960 0.001 0.000 0.220 29 G HA3 -0.267 3.693 3.960 0.001 0.000 0.220 29 G C 1.551 176.485 174.900 0.057 0.000 1.121 29 G CA 1.179 46.328 45.100 0.082 0.000 0.766 29 G HN 0.525 nan 8.290 nan 0.000 0.553 30 T N -1.995 112.573 114.554 0.024 0.000 3.118 30 T HA 0.230 4.580 4.350 0.001 0.000 0.260 30 T C 0.528 175.080 174.700 -0.247 0.000 1.139 30 T CA -0.260 61.762 62.100 -0.130 0.000 1.085 30 T CB -0.356 68.375 68.868 -0.229 0.000 0.934 30 T HN 0.004 nan 8.240 nan 0.000 0.518 31 F N 1.988 121.934 119.950 -0.006 0.000 2.394 31 F HA 0.666 5.193 4.527 -0.000 0.000 0.340 31 F C 0.925 176.727 175.800 0.002 0.000 1.105 31 F CA -1.241 56.759 58.000 -0.001 0.000 1.124 31 F CB 0.804 39.802 39.000 -0.002 0.000 1.145 31 F HN 0.133 nan 8.300 nan 0.000 0.505 32 A N 3.225 126.147 122.820 0.170 0.000 2.366 32 A HA 0.303 4.623 4.320 0.001 0.000 0.249 32 A C 0.011 177.672 177.584 0.129 0.000 1.084 32 A CA -0.753 51.348 52.037 0.106 0.000 0.794 32 A CB 0.142 19.176 19.000 0.057 0.000 1.034 32 A HN 0.785 nan 8.150 nan 0.000 0.491 33 K N 0.478 120.923 120.400 0.076 0.000 2.437 33 K HA 0.293 4.613 4.320 0.001 0.000 0.277 33 K C 1.123 177.783 176.600 0.099 0.000 1.073 33 K CA 1.323 57.660 56.287 0.084 0.000 1.105 33 K CB -0.073 32.412 32.500 -0.024 0.000 0.881 33 K HN 1.397 nan 8.250 nan 0.000 0.475 34 G N 2.207 111.116 108.800 0.181 0.000 2.176 34 G HA2 -0.331 3.630 3.960 0.001 0.000 0.253 34 G HA3 -0.331 3.630 3.960 0.001 0.000 0.253 34 G C 0.012 174.990 174.900 0.130 0.000 0.979 34 G CA 0.056 45.244 45.100 0.148 0.000 0.641 34 G HN 0.617 nan 8.290 nan 0.000 0.530 35 Q N 0.587 120.487 119.800 0.165 0.000 2.286 35 Q HA 0.507 4.847 4.340 0.001 0.000 0.257 35 Q C 0.395 176.488 176.000 0.157 0.000 0.941 35 Q CA -0.558 55.352 55.803 0.177 0.000 0.912 35 Q CB 1.071 29.969 28.738 0.267 0.000 1.192 35 Q HN 0.216 nan 8.270 nan 0.000 0.410 36 V N 7.280 127.276 119.914 0.137 0.000 2.421 36 V HA -0.050 4.070 4.120 0.001 0.000 0.271 36 V C 1.243 177.360 176.094 0.037 0.000 1.031 36 V CA 0.484 62.840 62.300 0.093 0.000 1.032 36 V CB 0.020 31.920 31.823 0.128 0.000 1.009 36 V HN 0.849 nan 8.190 nan 0.000 0.477 37 I N 3.636 124.101 120.570 -0.175 0.000 2.235 37 I HA -0.061 4.110 4.170 0.001 0.000 0.241 37 I C 1.167 177.218 176.117 -0.110 0.000 1.085 37 I CA 1.074 62.168 61.300 -0.344 0.000 1.378 37 I CB 0.029 37.603 38.000 -0.710 0.000 1.076 37 I HN 0.799 nan 8.210 nan 0.000 0.415 38 Q N 0.007 119.732 119.800 -0.124 0.000 2.565 38 Q HA 0.635 4.976 4.340 0.001 0.000 0.294 38 Q C -1.089 174.961 176.000 0.083 0.000 1.005 38 Q CA -0.973 54.830 55.803 0.001 0.000 0.771 38 Q CB 2.178 30.916 28.738 0.000 0.000 1.486 38 Q HN 0.146 nan 8.270 nan 0.000 0.422 39 S N -0.209 115.613 115.700 0.203 0.000 2.579 39 S HA 0.889 5.359 4.470 0.001 0.000 0.272 39 S C -1.264 173.471 174.600 0.225 0.000 1.141 39 S CA -1.011 57.308 58.200 0.198 0.000 0.843 39 S CB 2.164 65.366 63.200 0.003 0.000 1.122 39 S HN 0.929 nan 8.310 nan 0.000 0.468 40 R N 0.411 120.993 120.500 0.137 0.000 2.566 40 R HA 0.521 4.862 4.340 0.001 0.000 0.271 40 R C -1.359 175.004 176.300 0.105 0.000 1.071 40 R CA -0.978 55.162 56.100 0.067 0.000 0.915 40 R CB 1.477 31.684 30.300 -0.154 0.000 1.228 40 R HN 0.729 nan 8.270 nan 0.000 0.449 41 K N 2.395 122.875 120.400 0.133 0.000 2.401 41 K HA 0.224 4.544 4.320 0.001 0.000 0.278 41 K C -0.342 176.128 176.600 -0.217 0.000 1.018 41 K CA -0.325 55.872 56.287 -0.151 0.000 0.981 41 K CB 0.868 33.293 32.500 -0.125 0.000 0.933 41 K HN 0.547 nan 8.250 nan 0.000 0.477 42 V N 1.682 121.401 119.914 -0.324 0.000 2.925 42 V HA 0.647 4.767 4.120 0.001 0.000 0.311 42 V C -2.792 173.190 176.094 -0.186 0.000 1.104 42 V CA -2.370 59.808 62.300 -0.203 0.000 0.954 42 V CB 1.619 33.346 31.823 -0.160 0.000 1.022 42 V HN 0.781 nan 8.190 nan 0.000 0.427 43 P HA 0.491 nan 4.420 nan 0.000 0.292 43 P C -0.496 176.809 177.300 0.008 0.000 1.287 43 P CA 0.189 63.258 63.100 -0.052 0.000 0.800 43 P CB 1.453 33.136 31.700 -0.028 0.000 0.945 44 T N -1.432 113.160 114.554 0.063 0.000 2.906 44 T HA 0.308 4.659 4.350 0.001 0.000 0.295 44 T C 0.671 175.476 174.700 0.174 0.000 1.061 44 T CA -0.663 61.543 62.100 0.175 0.000 1.000 44 T CB 1.318 70.393 68.868 0.345 0.000 1.103 44 T HN 0.131 nan 8.240 nan 0.000 0.486 45 D N 0.820 121.324 120.400 0.172 0.000 2.104 45 D HA -0.075 4.565 4.640 0.001 0.000 0.194 45 D C 1.961 178.317 176.300 0.093 0.000 0.994 45 D CA 1.240 55.308 54.000 0.113 0.000 0.830 45 D CB -0.014 40.846 40.800 0.100 0.000 0.959 45 D HN 0.577 nan 8.370 nan 0.000 0.452 46 I N 1.234 121.874 120.570 0.117 0.000 2.226 46 I HA -0.182 3.988 4.170 0.001 0.000 0.245 46 I C 2.633 178.745 176.117 -0.009 0.000 1.100 46 I CA 1.412 62.685 61.300 -0.045 0.000 1.374 46 I CB -0.411 37.397 38.000 -0.321 0.000 1.057 46 I HN 0.012 nan 8.210 nan 0.000 0.413 47 G N 0.589 109.540 108.800 0.251 0.000 2.418 47 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 47 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 47 G C 1.442 176.402 174.900 0.100 0.000 1.158 47 G CA 0.766 46.027 45.100 0.269 0.000 0.771 47 G HN 0.287 nan 8.290 nan 0.000 0.545 48 N N 1.341 120.085 118.700 0.073 0.000 2.084 48 N HA -0.057 4.683 4.740 0.001 0.000 0.190 48 N C 2.411 177.927 175.510 0.009 0.000 1.030 48 N CA 1.354 54.422 53.050 0.031 0.000 0.849 48 N CB -0.609 37.894 38.487 0.028 0.000 1.012 48 N HN 0.300 nan 8.380 nan 0.000 0.423 49 A N 0.450 123.270 122.820 0.001 0.000 2.067 49 A HA -0.013 4.308 4.320 0.001 0.000 0.219 49 A C 1.518 179.076 177.584 -0.044 0.000 1.158 49 A CA 1.077 53.100 52.037 -0.023 0.000 0.661 49 A CB -0.128 18.854 19.000 -0.032 0.000 0.801 49 A HN 0.272 nan 8.150 nan 0.000 0.452 50 N N -0.641 118.028 118.700 -0.052 0.000 2.200 50 N HA -0.002 4.738 4.740 0.001 0.000 0.224 50 N C -0.234 175.244 175.510 -0.053 0.000 1.179 50 N CA 0.170 53.174 53.050 -0.076 0.000 0.877 50 N CB 0.282 38.691 38.487 -0.131 0.000 1.072 50 N HN 0.429 nan 8.380 nan 0.000 0.519 51 N N 1.312 119.997 118.700 -0.024 0.000 2.714 51 N HA -0.219 4.522 4.740 0.001 0.000 0.252 51 N C -1.230 174.281 175.510 0.001 0.000 1.014 51 N CA 0.666 53.709 53.050 -0.012 0.000 0.735 51 N CB -0.934 37.538 38.487 -0.026 0.000 0.924 51 N HN 0.367 nan 8.380 nan 0.000 0.540 52 A N -0.057 122.787 122.820 0.040 0.000 2.335 52 A HA 0.837 5.157 4.320 0.001 0.000 0.304 52 A C 0.253 177.918 177.584 0.134 0.000 1.118 52 A CA -0.100 51.992 52.037 0.092 0.000 0.757 52 A CB 1.236 20.309 19.000 0.121 0.000 1.188 52 A HN 0.797 nan 8.150 nan 0.000 0.460 53 A N 2.327 125.203 122.820 0.094 0.000 2.520 53 A HA 0.545 4.865 4.320 0.001 0.000 0.245 53 A C 0.723 178.249 177.584 -0.098 0.000 1.072 53 A CA 0.550 52.571 52.037 -0.027 0.000 0.761 53 A CB -0.314 18.719 19.000 0.055 0.000 1.004 53 A HN 1.759 nan 8.150 nan 0.000 0.499 54 S N 1.251 116.708 115.700 -0.405 0.000 2.503 54 S HA 0.870 5.341 4.470 0.001 0.000 0.301 54 S C -0.746 173.359 174.600 -0.824 0.000 1.087 54 S CA -0.568 57.277 58.200 -0.592 0.000 1.042 54 S CB 0.973 63.734 63.200 -0.731 0.000 1.043 54 S HN 0.454 nan 8.310 nan 0.000 0.489 55 F N 0.059 119.821 119.950 -0.314 0.000 2.599 55 F HA 0.508 5.035 4.527 0.001 0.000 0.311 55 F C 0.231 175.851 175.800 -0.299 0.000 1.076 55 F CA -0.869 56.977 58.000 -0.257 0.000 0.937 55 F CB 2.112 40.952 39.000 -0.267 0.000 1.282 55 F HN 0.490 nan 8.300 nan 0.000 0.460 56 Q N 2.226 121.997 119.800 -0.047 0.000 2.282 56 Q HA 0.677 5.018 4.340 0.001 0.000 0.260 56 Q C -1.382 174.670 176.000 0.088 0.000 0.964 56 Q CA -0.740 55.057 55.803 -0.009 0.000 0.880 56 Q CB 2.394 31.101 28.738 -0.052 0.000 1.286 56 Q HN 0.517 nan 8.270 nan 0.000 0.445 57 L N 2.143 123.427 121.223 0.102 0.000 2.333 57 L HA 0.419 4.759 4.340 0.001 0.000 0.280 57 L C -0.361 176.618 176.870 0.181 0.000 1.004 57 L CA -0.635 54.252 54.840 0.080 0.000 0.820 57 L CB 1.753 43.773 42.059 -0.065 0.000 1.247 57 L HN 0.483 nan 8.230 nan 0.000 0.416 58 Q N 3.967 123.758 119.800 -0.016 0.000 2.296 58 Q HA 0.376 4.716 4.340 0.001 0.000 0.257 58 Q C -1.693 174.207 176.000 -0.166 0.000 0.942 58 Q CA -0.491 55.126 55.803 -0.309 0.000 0.939 58 Q CB 1.041 29.247 28.738 -0.887 0.000 1.198 58 Q HN 0.569 nan 8.270 nan 0.000 0.429 59 Y N 1.017 121.161 120.300 -0.259 0.000 2.615 59 Y HA 0.574 5.125 4.550 0.002 0.000 0.341 59 Y C -1.216 174.542 175.900 -0.237 0.000 1.089 59 Y CA -1.500 56.469 58.100 -0.218 0.000 1.049 59 Y CB 0.896 39.291 38.460 -0.109 0.000 1.296 59 Y HN 0.393 nan 8.280 nan 0.000 0.470 60 R N 2.028 122.446 120.500 -0.136 0.000 2.390 60 R HA 0.550 4.891 4.340 0.001 0.000 0.291 60 R C -0.915 175.380 176.300 -0.007 0.000 1.070 60 R CA 0.560 56.572 56.100 -0.147 0.000 1.014 60 R CB 1.321 31.607 30.300 -0.024 0.000 1.007 60 R HN 1.108 nan 8.270 nan 0.000 0.466 61 T N 0.698 115.190 114.554 -0.103 0.000 2.590 61 T HA 0.499 4.850 4.350 0.001 0.000 0.282 61 T C -1.274 173.439 174.700 0.022 0.000 0.989 61 T CA -0.248 61.873 62.100 0.035 0.000 1.091 61 T CB 1.428 70.310 68.868 0.024 0.000 1.460 61 T HN 0.537 nan 8.240 nan 0.000 0.499 62 T N 2.693 117.269 114.554 0.037 0.000 2.921 62 T HA 0.535 4.885 4.350 0.001 0.000 0.297 62 T C -0.575 174.081 174.700 -0.073 0.000 1.013 62 T CA -0.894 61.215 62.100 0.015 0.000 0.990 62 T CB 1.242 70.186 68.868 0.128 0.000 1.023 62 T HN 0.797 nan 8.240 nan 0.000 0.447 63 N N 0.774 119.423 118.700 -0.085 0.000 2.418 63 N HA 0.252 4.992 4.740 0.001 0.000 0.283 63 N C 1.138 176.569 175.510 -0.132 0.000 1.267 63 N CA -0.444 52.538 53.050 -0.115 0.000 0.975 63 N CB -0.375 38.045 38.487 -0.112 0.000 1.167 63 N HN 0.321 nan 8.380 nan 0.000 0.581 64 T N -0.487 113.961 114.554 -0.176 0.000 2.788 64 T HA -0.100 4.251 4.350 0.001 0.000 0.268 64 T C 0.881 175.440 174.700 -0.236 0.000 1.044 64 T CA 1.245 63.199 62.100 -0.244 0.000 1.139 64 T CB -0.219 68.418 68.868 -0.385 0.000 0.867 64 T HN 0.444 nan 8.240 nan 0.000 0.454 65 Q N 1.058 120.748 119.800 -0.183 0.000 2.329 65 Q HA 0.189 4.530 4.340 0.001 0.000 0.208 65 Q C 0.176 176.120 176.000 -0.094 0.000 0.934 65 Q CA -0.044 55.678 55.803 -0.136 0.000 0.951 65 Q CB -0.960 27.714 28.738 -0.107 0.000 1.017 65 Q HN 0.665 nan 8.270 nan 0.000 0.490 66 N N 0.875 119.520 118.700 -0.092 0.000 2.725 66 N HA -0.193 4.548 4.740 0.001 0.000 0.249 66 N C -1.015 174.483 175.510 -0.021 0.000 1.103 66 N CA 0.438 53.463 53.050 -0.043 0.000 0.707 66 N CB -0.660 37.808 38.487 -0.031 0.000 1.043 66 N HN 0.365 nan 8.380 nan 0.000 0.553 67 E N 0.336 120.515 120.200 -0.035 0.000 2.204 67 E HA 0.598 4.948 4.350 0.001 0.000 0.276 67 E C 0.005 176.595 176.600 -0.016 0.000 0.974 67 E CA -0.652 55.735 56.400 -0.022 0.000 0.815 67 E CB 1.193 30.875 29.700 -0.031 0.000 1.119 67 E HN 0.319 nan 8.360 nan 0.000 0.393 68 A N 2.354 125.174 122.820 0.001 0.000 2.492 68 A HA 0.389 4.710 4.320 0.001 0.000 0.254 68 A C 0.058 177.621 177.584 -0.035 0.000 1.091 68 A CA -0.335 51.703 52.037 0.003 0.000 0.768 68 A CB -0.177 18.844 19.000 0.035 0.000 1.028 68 A HN 0.413 nan 8.150 nan 0.000 0.498 69 V N -0.779 119.081 119.914 -0.091 0.000 3.130 69 V HA 0.946 5.066 4.120 0.001 0.000 0.310 69 V C 0.183 176.104 176.094 -0.287 0.000 1.158 69 V CA -0.536 61.667 62.300 -0.162 0.000 1.029 69 V CB 1.162 32.866 31.823 -0.199 0.000 1.057 69 V HN 1.593 nan 8.190 nan 0.000 0.436 70 A N 1.018 123.611 122.820 -0.377 0.000 2.252 70 A HA 0.889 5.210 4.320 0.001 0.000 0.305 70 A C -0.511 176.362 177.584 -1.185 0.000 1.097 70 A CA -0.057 51.620 52.037 -0.601 0.000 0.849 70 A CB 1.127 19.915 19.000 -0.354 0.000 1.142 70 A HN 1.148 nan 8.150 nan 0.000 0.499 71 D N -1.699 117.978 120.400 -1.205 0.000 2.677 71 D HA 0.555 5.196 4.640 0.001 0.000 0.298 71 D C -1.675 174.224 176.300 -0.669 0.000 1.250 71 D CA -0.120 53.147 54.000 -1.220 0.000 0.888 71 D CB 1.930 42.164 40.800 -0.943 0.000 1.397 71 D HN 0.327 nan 8.370 nan 0.000 0.461 72 V N 0.350 120.177 119.914 -0.145 0.000 2.680 72 V HA 0.933 5.053 4.120 0.001 0.000 0.309 72 V C -0.240 176.059 176.094 0.342 0.000 1.052 72 V CA -0.488 61.894 62.300 0.137 0.000 0.908 72 V CB 1.347 33.218 31.823 0.080 0.000 1.001 72 V HN 0.763 nan 8.190 nan 0.000 0.431 73 A N 2.579 125.616 122.820 0.362 0.000 2.515 73 A HA 0.907 5.227 4.320 0.001 0.000 0.296 73 A C -0.495 177.164 177.584 0.125 0.000 1.094 73 A CA -0.591 51.603 52.037 0.262 0.000 0.718 73 A CB 2.092 21.174 19.000 0.137 0.000 1.307 73 A HN 0.670 nan 8.150 nan 0.000 0.408 74 T N 1.198 115.787 114.554 0.057 0.000 2.807 74 T HA 0.615 4.966 4.350 0.001 0.000 0.279 74 T C -0.340 174.175 174.700 -0.307 0.000 0.993 74 T CA -0.314 61.653 62.100 -0.222 0.000 0.970 74 T CB 1.098 69.731 68.868 -0.391 0.000 0.950 74 T HN 1.531 nan 8.240 nan 0.000 0.441 75 V N 0.111 119.798 119.914 -0.378 0.000 2.735 75 V HA 0.768 4.889 4.120 0.001 0.000 0.310 75 V C -1.388 174.580 176.094 -0.210 0.000 1.061 75 V CA -1.055 61.182 62.300 -0.104 0.000 0.913 75 V CB 2.121 33.997 31.823 0.089 0.000 1.005 75 V HN 0.877 nan 8.190 nan 0.000 0.428 76 W N 3.661 125.053 121.300 0.154 0.000 2.702 76 W HA 0.639 5.300 4.660 0.001 0.000 0.331 76 W C -1.200 175.403 176.519 0.139 0.000 1.049 76 W CA -0.791 56.622 57.345 0.114 0.000 1.230 76 W CB 2.317 31.788 29.460 0.018 0.000 1.408 76 W HN 0.440 nan 8.180 nan 0.000 0.492 77 I N 5.045 125.814 120.570 0.331 0.000 2.330 77 I HA 0.216 4.387 4.170 0.001 0.000 0.289 77 I C -1.844 174.272 176.117 -0.001 0.000 1.001 77 I CA -3.208 58.192 61.300 0.168 0.000 1.193 77 I CB 0.566 38.744 38.000 0.297 0.000 1.345 77 I HN -0.070 nan 8.210 nan 0.000 0.461 78 P HA 0.093 nan 4.420 nan 0.000 0.268 78 P C 0.607 177.818 177.300 -0.149 0.000 1.205 78 P CA -0.114 62.862 63.100 -0.208 0.000 0.771 78 P CB 1.116 32.613 31.700 -0.338 0.000 0.858 79 A N 3.448 126.207 122.820 -0.102 0.000 1.883 79 A HA -0.159 4.162 4.320 0.001 0.000 0.217 79 A C 1.071 178.603 177.584 -0.088 0.000 1.186 79 A CA 1.722 53.716 52.037 -0.072 0.000 0.624 79 A CB -0.650 18.313 19.000 -0.061 0.000 0.822 79 A HN 0.434 nan 8.150 nan 0.000 0.444 80 K N 0.498 120.825 120.400 -0.122 0.000 2.423 80 K HA 0.407 4.727 4.320 0.001 0.000 0.234 80 K C -2.995 173.510 176.600 -0.157 0.000 1.051 80 K CA -2.517 53.700 56.287 -0.117 0.000 1.021 80 K CB 0.870 33.305 32.500 -0.109 0.000 1.474 80 K HN 0.134 nan 8.250 nan 0.000 0.474 81 P HA 0.025 nan 4.420 nan 0.000 0.268 81 P C -0.591 176.650 177.300 -0.098 0.000 1.204 81 P CA -0.197 62.789 63.100 -0.190 0.000 0.768 81 P CB 0.842 32.471 31.700 -0.119 0.000 0.842 82 A N 3.197 125.955 122.820 -0.103 0.000 2.507 82 A HA 0.445 4.766 4.320 0.001 0.000 0.235 82 A C 0.521 178.110 177.584 0.008 0.000 1.070 82 A CA 0.431 52.433 52.037 -0.058 0.000 0.768 82 A CB -0.300 18.666 19.000 -0.057 0.000 1.011 82 A HN 0.608 nan 8.150 nan 0.000 0.502 83 S N 1.823 117.523 115.700 0.001 0.000 2.546 83 S HA 0.772 5.242 4.470 0.001 0.000 0.274 83 S C -2.567 172.038 174.600 0.007 0.000 1.121 83 S CA -1.008 57.204 58.200 0.019 0.000 0.887 83 S CB 1.220 64.436 63.200 0.026 0.000 1.094 83 S HN 0.783 nan 8.310 nan 0.000 0.474 84 P HA 0.355 nan 4.420 nan 0.000 0.270 84 P C -2.875 174.441 177.300 0.026 0.000 1.227 84 P CA -0.995 62.114 63.100 0.017 0.000 0.788 84 P CB -1.191 30.515 31.700 0.010 0.000 0.926 85 P HA 0.200 nan 4.420 nan 0.000 0.268 85 P C -0.500 176.820 177.300 0.033 0.000 1.204 85 P CA 0.412 63.568 63.100 0.093 0.000 0.768 85 P CB 0.377 32.072 31.700 -0.008 0.000 0.842 86 K N 2.795 123.224 120.400 0.048 0.000 2.378 86 K HA 0.613 4.933 4.320 0.001 0.000 0.252 86 K C -0.627 175.980 176.600 0.013 0.000 0.931 86 K CA -0.578 55.597 56.287 -0.187 0.000 0.794 86 K CB 1.860 33.868 32.500 -0.819 0.000 1.181 86 K HN 0.359 nan 8.250 nan 0.000 0.425 87 I N 2.742 123.385 120.570 0.122 0.000 2.465 87 I HA 0.371 4.542 4.170 0.001 0.000 0.291 87 I C -1.124 175.250 176.117 0.428 0.000 1.014 87 I CA -0.850 60.620 61.300 0.283 0.000 1.093 87 I CB 1.261 39.377 38.000 0.193 0.000 1.267 87 I HN 0.502 nan 8.210 nan 0.000 0.431 88 F N 5.751 125.889 119.950 0.314 0.000 2.427 88 F HA 0.492 5.019 4.527 0.001 0.000 0.348 88 F C -0.079 175.921 175.800 0.334 0.000 1.125 88 F CA -0.259 57.958 58.000 0.361 0.000 0.989 88 F CB 1.514 40.785 39.000 0.452 0.000 1.165 88 F HN 0.334 nan 8.300 nan 0.000 0.442 89 S N 6.405 122.087 115.700 -0.029 0.000 2.438 89 S HA 0.348 4.819 4.470 0.001 0.000 0.316 89 S C -1.473 173.137 174.600 0.016 0.000 1.084 89 S CA -0.323 57.928 58.200 0.086 0.000 1.107 89 S CB 0.179 63.412 63.200 0.055 0.000 0.981 89 S HN 0.605 nan 8.310 nan 0.000 0.466 90 Y N 4.497 124.895 120.300 0.164 0.000 2.331 90 Y HA 0.568 5.118 4.550 0.001 0.000 0.338 90 Y C -0.651 175.407 175.900 0.263 0.000 0.992 90 Y CA -0.687 57.555 58.100 0.237 0.000 1.121 90 Y CB 1.095 39.842 38.460 0.478 0.000 1.184 90 Y HN 0.497 nan 8.280 nan 0.000 0.469 91 Q N 4.551 124.078 119.800 -0.455 0.000 2.340 91 Q HA 0.444 4.784 4.340 0.001 0.000 0.259 91 Q C -0.864 174.765 176.000 -0.618 0.000 0.964 91 Q CA -0.537 55.044 55.803 -0.370 0.000 0.900 91 Q CB 1.635 30.191 28.738 -0.302 0.000 1.228 91 Q HN 0.587 nan 8.270 nan 0.000 0.449 92 V N 3.580 123.361 119.914 -0.222 0.000 2.686 92 V HA 0.066 4.187 4.120 0.001 0.000 0.295 92 V C -0.286 175.829 176.094 0.036 0.000 1.055 92 V CA -0.481 61.738 62.300 -0.135 0.000 1.050 92 V CB 0.154 32.007 31.823 0.050 0.000 0.984 92 V HN 0.715 nan 8.190 nan 0.000 0.482 93 Y N 1.282 121.707 120.300 0.209 0.000 2.532 93 Y HA 0.302 4.852 4.550 0.001 0.000 0.337 93 Y C 1.253 177.241 175.900 0.146 0.000 1.274 93 Y CA -0.415 57.815 58.100 0.218 0.000 1.817 93 Y CB -0.788 37.839 38.460 0.278 0.000 1.769 93 Y HN 0.795 nan 8.280 nan 0.000 0.447 94 E N 1.848 122.177 120.200 0.215 0.000 2.031 94 E HA -0.263 4.087 4.350 0.001 0.000 0.193 94 E C 0.010 176.595 176.600 -0.025 0.000 0.994 94 E CA 1.370 57.814 56.400 0.074 0.000 0.800 94 E CB -0.090 29.622 29.700 0.021 0.000 0.752 94 E HN 0.768 nan 8.360 nan 0.000 0.447 95 D N 0.086 120.370 120.400 -0.193 0.000 2.689 95 D HA -0.193 4.448 4.640 0.001 0.000 0.237 95 D C -1.082 174.887 176.300 -0.552 0.000 1.148 95 D CA 1.165 54.670 54.000 -0.824 0.000 0.656 95 D CB -1.304 39.271 40.800 -0.375 0.000 1.050 95 D HN 0.385 nan 8.370 nan 0.000 0.426 96 A N -0.827 121.744 122.820 -0.415 0.000 2.612 96 A HA 0.794 5.114 4.320 0.001 0.000 0.293 96 A C 0.398 178.000 177.584 0.030 0.000 1.075 96 A CA -0.126 51.860 52.037 -0.085 0.000 0.680 96 A CB 1.486 20.496 19.000 0.018 0.000 1.279 96 A HN 0.335 nan 8.150 nan 0.000 0.411 97 T N -1.604 113.022 114.554 0.121 0.000 3.374 97 T HA 0.653 5.004 4.350 0.001 0.000 0.267 97 T C 0.031 174.818 174.700 0.144 0.000 0.996 97 T CA 0.492 62.678 62.100 0.143 0.000 0.977 97 T CB -0.157 68.803 68.868 0.153 0.000 1.149 97 T HN 1.851 nan 8.240 nan 0.000 0.517 98 A N 1.033 123.946 122.820 0.154 0.000 2.374 98 A HA 0.789 5.110 4.320 0.001 0.000 0.317 98 A C 0.884 178.531 177.584 0.105 0.000 1.094 98 A CA -0.872 51.288 52.037 0.204 0.000 0.765 98 A CB 1.260 20.417 19.000 0.263 0.000 1.268 98 A HN 0.375 nan 8.150 nan 0.000 0.438 99 L N 1.046 122.257 121.223 -0.021 0.000 2.017 99 L HA -0.096 4.245 4.340 0.001 0.000 0.208 99 L C 1.772 178.463 176.870 -0.298 0.000 1.073 99 L CA 2.919 57.533 54.840 -0.377 0.000 0.745 99 L CB -0.457 40.993 42.059 -1.016 0.000 0.894 99 L HN 0.831 nan 8.230 nan 0.000 0.432 100 D N -1.738 118.574 120.400 -0.148 0.000 2.371 100 D HA -0.124 4.517 4.640 0.001 0.000 0.234 100 D C 1.593 177.979 176.300 0.143 0.000 1.049 100 D CA 0.707 54.680 54.000 -0.044 0.000 0.907 100 D CB -1.263 39.578 40.800 0.068 0.000 0.891 100 D HN 0.416 nan 8.370 nan 0.000 0.531 101 c N 0.477 119.129 118.600 0.087 0.000 2.576 101 c HA 0.525 5.096 4.570 0.001 0.000 0.267 101 c C 1.477 175.596 174.090 0.048 0.000 1.364 101 c CA -0.619 55.755 56.329 0.075 0.000 1.723 101 c CB -1.648 40.895 42.510 0.055 0.000 1.778 101 c HN 0.454 nan 8.230 nan 0.000 0.572 102 A N 2.447 125.298 122.820 0.052 0.000 2.565 102 A HA 0.215 4.536 4.320 0.001 0.000 0.237 102 A C -0.776 176.853 177.584 0.076 0.000 1.053 102 A CA -0.272 51.807 52.037 0.070 0.000 0.755 102 A CB 0.007 19.081 19.000 0.123 0.000 0.980 102 A HN 0.295 nan 8.150 nan 0.000 0.506 103 P HA -0.229 nan 4.420 nan 0.000 0.215 103 P C 1.879 179.210 177.300 0.052 0.000 1.157 103 P CA 2.249 65.307 63.100 -0.070 0.000 0.874 103 P CB -0.074 31.678 31.700 0.086 0.000 0.790 104 S N -1.458 114.447 115.700 0.341 0.000 2.372 104 S HA -0.294 4.177 4.470 0.001 0.000 0.227 104 S C 2.081 176.921 174.600 0.400 0.000 1.044 104 S CA 1.500 59.975 58.200 0.457 0.000 1.050 104 S CB -2.003 61.454 63.200 0.428 0.000 0.901 104 S HN 0.083 nan 8.310 nan 0.000 0.447 105 Y N 2.824 123.239 120.300 0.191 0.000 2.224 105 Y HA -0.035 4.516 4.550 0.002 0.000 0.289 105 Y C 2.590 178.529 175.900 0.064 0.000 1.146 105 Y CA 1.020 59.182 58.100 0.104 0.000 1.182 105 Y CB -0.784 37.682 38.460 0.009 0.000 0.983 105 Y HN 0.330 nan 8.280 nan 0.000 0.524 106 S N -0.844 114.824 115.700 -0.054 0.000 2.406 106 S HA -0.155 4.315 4.470 0.001 0.000 0.228 106 S C 1.610 176.157 174.600 -0.088 0.000 1.020 106 S CA 1.044 59.137 58.200 -0.178 0.000 0.965 106 S CB -0.552 62.524 63.200 -0.206 0.000 0.798 106 S HN 0.504 nan 8.310 nan 0.000 0.488 107 Y N 1.851 122.220 120.300 0.116 0.000 2.373 107 Y HA 0.167 4.717 4.550 0.001 0.000 0.293 107 Y C 1.013 176.992 175.900 0.131 0.000 1.129 107 Y CA -0.392 57.823 58.100 0.191 0.000 1.226 107 Y CB -0.841 37.813 38.460 0.323 0.000 1.000 107 Y HN 0.154 nan 8.280 nan 0.000 0.549 108 L N 1.120 122.469 121.223 0.209 0.000 2.506 108 L HA -0.010 4.331 4.340 0.001 0.000 0.281 108 L C 1.016 177.924 176.870 0.064 0.000 1.228 108 L CA -0.047 54.858 54.840 0.108 0.000 0.850 108 L CB -0.024 42.067 42.059 0.054 0.000 1.110 108 L HN 0.181 nan 8.230 nan 0.000 0.496 109 T N -0.005 114.582 114.554 0.056 0.000 2.934 109 T HA 0.459 4.810 4.350 0.001 0.000 0.306 109 T C 0.297 174.997 174.700 0.001 0.000 1.042 109 T CA -0.020 62.099 62.100 0.032 0.000 1.145 109 T CB 0.938 69.823 68.868 0.027 0.000 0.982 109 T HN 1.063 nan 8.240 nan 0.000 0.544 110 G N 1.392 110.186 108.800 -0.011 0.000 2.337 110 G HA2 0.323 4.284 3.960 0.001 0.000 0.310 110 G HA3 0.323 4.284 3.960 0.001 0.000 0.310 110 G C -0.474 174.399 174.900 -0.045 0.000 1.534 110 G CA -0.722 44.358 45.100 -0.033 0.000 0.982 110 G HN 0.741 nan 8.290 nan 0.000 0.672 111 L N 0.131 121.329 121.223 -0.041 0.000 2.966 111 L HA 0.295 4.636 4.340 0.001 0.000 0.262 111 L C 1.621 178.464 176.870 -0.046 0.000 1.165 111 L CA 0.637 55.454 54.840 -0.038 0.000 0.978 111 L CB 0.710 42.759 42.059 -0.017 0.000 1.337 111 L HN 0.672 nan 8.230 nan 0.000 0.563 112 D N -1.569 118.799 120.400 -0.054 0.000 2.349 112 D HA -0.004 4.637 4.640 0.001 0.000 0.214 112 D C 0.435 176.703 176.300 -0.054 0.000 1.063 112 D CA -0.148 53.832 54.000 -0.032 0.000 0.847 112 D CB -0.051 40.753 40.800 0.006 0.000 0.933 112 D HN 0.168 nan 8.370 nan 0.000 0.513 113 Q N 1.917 121.615 119.800 -0.170 0.000 2.300 113 Q HA 0.142 4.483 4.340 0.001 0.000 0.280 113 Q C -1.397 174.555 176.000 -0.081 0.000 1.033 113 Q CA -0.832 54.822 55.803 -0.249 0.000 0.903 113 Q CB 0.750 29.128 28.738 -0.601 0.000 1.195 113 Q HN 0.078 nan 8.270 nan 0.000 0.386 114 P HA -0.204 nan 4.420 nan 0.000 0.221 114 P C -0.159 177.127 177.300 -0.022 0.000 1.150 114 P CA 1.290 64.392 63.100 0.004 0.000 0.800 114 P CB 0.398 32.125 31.700 0.044 0.000 0.787 115 N N -0.482 118.207 118.700 -0.019 0.000 2.273 115 N HA 0.059 4.799 4.740 0.001 0.000 0.231 115 N C 1.494 176.974 175.510 -0.050 0.000 1.134 115 N CA -0.215 52.819 53.050 -0.028 0.000 0.856 115 N CB 0.067 38.547 38.487 -0.013 0.000 1.068 115 N HN -0.132 nan 8.380 nan 0.000 0.510 116 K N 0.284 120.645 120.400 -0.065 0.000 2.113 116 K HA -0.123 4.198 4.320 0.001 0.000 0.208 116 K C 1.703 178.293 176.600 -0.017 0.000 1.047 116 K CA 1.027 57.275 56.287 -0.066 0.000 0.928 116 K CB -0.357 32.104 32.500 -0.065 0.000 0.716 116 K HN 0.035 nan 8.250 nan 0.000 0.446 117 V N 1.097 121.017 119.914 0.010 0.000 2.453 117 V HA -0.267 3.854 4.120 0.001 0.000 0.252 117 V C 1.971 178.133 176.094 0.113 0.000 1.068 117 V CA 2.674 65.014 62.300 0.066 0.000 1.070 117 V CB -0.727 31.134 31.823 0.065 0.000 0.664 117 V HN 0.804 nan 8.190 nan 0.000 0.461 118 T N -2.361 112.228 114.554 0.059 0.000 3.072 118 T HA 0.116 4.466 4.350 0.001 0.000 0.266 118 T C 1.466 176.130 174.700 -0.060 0.000 1.127 118 T CA 1.058 63.157 62.100 -0.001 0.000 1.107 118 T CB -0.170 68.638 68.868 -0.100 0.000 0.910 118 T HN 0.592 nan 8.240 nan 0.000 0.513 119 A N 0.720 123.524 122.820 -0.028 0.000 2.348 119 A HA 0.622 4.942 4.320 0.001 0.000 0.224 119 A C 1.135 178.783 177.584 0.107 0.000 1.227 119 A CA 0.112 52.156 52.037 0.012 0.000 0.885 119 A CB -0.034 18.908 19.000 -0.096 0.000 0.933 119 A HN 0.583 nan 8.150 nan 0.000 0.506 120 V N -4.314 115.660 119.914 0.101 0.000 3.285 120 V HA 0.773 4.894 4.120 0.001 0.000 0.302 120 V C 1.000 177.166 176.094 0.120 0.000 1.247 120 V CA -0.571 61.787 62.300 0.098 0.000 1.035 120 V CB 0.168 32.039 31.823 0.080 0.000 1.223 120 V HN 0.563 nan 8.190 nan 0.000 0.475 121 L N -1.566 119.717 121.223 0.099 0.000 6.453 121 L HA -0.277 4.064 4.340 0.001 0.000 0.053 121 L C 1.788 178.647 176.870 -0.018 0.000 2.386 121 L CA 1.493 56.387 54.840 0.089 0.000 1.514 121 L CB -2.027 40.195 42.059 0.273 0.000 2.896 121 L HN 0.987 nan 8.230 nan 0.000 1.076 122 D N -0.591 119.794 120.400 -0.026 0.000 2.149 122 D HA -0.082 4.559 4.640 0.001 0.000 0.201 122 D C 1.566 177.867 176.300 0.001 0.000 0.972 122 D CA 1.947 55.913 54.000 -0.057 0.000 0.835 122 D CB -0.736 40.020 40.800 -0.074 0.000 0.966 122 D HN 0.625 nan 8.370 nan 0.000 0.476 123 T N 1.861 116.461 114.554 0.076 0.000 2.592 123 T HA -0.131 4.219 4.350 0.001 0.000 0.267 123 T C -0.755 173.848 174.700 -0.162 0.000 1.060 123 T CA 2.665 64.735 62.100 -0.050 0.000 1.167 123 T CB -1.214 67.747 68.868 0.155 0.000 0.863 123 T HN 0.318 nan 8.240 nan 0.000 0.431 124 P HA 0.050 nan 4.420 nan 0.000 0.221 124 P C 1.559 178.781 177.300 -0.130 0.000 1.150 124 P CA 0.945 63.977 63.100 -0.114 0.000 0.800 124 P CB -0.308 31.363 31.700 -0.048 0.000 0.787 125 I N -0.430 120.080 120.570 -0.099 0.000 2.163 125 I HA -0.239 3.931 4.170 0.001 0.000 0.243 125 I C 2.617 178.696 176.117 -0.064 0.000 1.085 125 I CA 1.520 62.772 61.300 -0.080 0.000 1.347 125 I CB -0.602 37.346 38.000 -0.086 0.000 1.044 125 I HN -0.152 nan 8.210 nan 0.000 0.408 126 I N 0.418 120.917 120.570 -0.117 0.000 2.233 126 I HA -0.249 3.922 4.170 0.001 0.000 0.243 126 I C 2.438 178.464 176.117 -0.153 0.000 1.093 126 I CA 1.521 62.764 61.300 -0.096 0.000 1.380 126 I CB -0.172 37.752 38.000 -0.126 0.000 1.067 126 I HN 0.123 nan 8.210 nan 0.000 0.413 127 I N 0.550 120.939 120.570 -0.302 0.000 2.233 127 I HA -0.139 4.031 4.170 0.001 0.000 0.243 127 I C 2.711 178.621 176.117 -0.346 0.000 1.093 127 I CA 1.360 62.435 61.300 -0.376 0.000 1.380 127 I CB -0.895 36.764 38.000 -0.569 0.000 1.067 127 I HN 0.234 nan 8.210 nan 0.000 0.413 128 G N 0.521 109.155 108.800 -0.276 0.000 2.491 128 G HA2 -0.340 3.620 3.960 0.001 0.000 0.218 128 G HA3 -0.340 3.620 3.960 0.001 0.000 0.218 128 G C 1.438 176.244 174.900 -0.158 0.000 1.180 128 G CA 0.919 45.893 45.100 -0.210 0.000 0.774 128 G HN 0.540 nan 8.290 nan 0.000 0.562 129 W N 1.858 122.999 121.300 -0.264 0.000 2.318 129 W HA -0.046 4.614 4.660 0.001 0.000 0.313 129 W C 2.783 179.101 176.519 -0.336 0.000 1.221 129 W CA 2.641 59.839 57.345 -0.245 0.000 1.266 129 W CB -0.278 29.076 29.460 -0.177 0.000 1.150 129 W HN 0.277 nan 8.180 nan 0.000 0.496 130 A N 0.289 122.923 122.820 -0.311 0.000 1.902 130 A HA -0.193 4.128 4.320 0.001 0.000 0.217 130 A C 2.091 179.295 177.584 -0.633 0.000 1.181 130 A CA 1.895 53.566 52.037 -0.609 0.000 0.623 130 A CB -1.109 17.458 19.000 -0.722 0.000 0.818 130 A HN 0.429 nan 8.150 nan 0.000 0.443 131 L N -0.735 120.226 121.223 -0.435 0.000 2.083 131 L HA -0.211 4.129 4.340 0.001 0.000 0.209 131 L C 2.717 179.329 176.870 -0.430 0.000 1.083 131 L CA 1.094 55.715 54.840 -0.364 0.000 0.752 131 L CB -0.529 41.366 42.059 -0.273 0.000 0.899 131 L HN 0.380 nan 8.230 nan 0.000 0.433 132 Q N -0.243 119.275 119.800 -0.469 0.000 2.291 132 Q HA -0.148 4.192 4.340 0.001 0.000 0.205 132 Q C 2.058 177.704 176.000 -0.591 0.000 0.970 132 Q CA 0.931 56.468 55.803 -0.444 0.000 0.876 132 Q CB -0.186 28.343 28.738 -0.349 0.000 0.935 132 Q HN 0.525 nan 8.270 nan 0.000 0.455 133 Q N -0.681 118.553 119.800 -0.943 0.000 2.472 133 Q HA 0.094 4.434 4.340 0.001 0.000 0.208 133 Q C 0.985 176.464 176.000 -0.869 0.000 0.958 133 Q CA 0.867 56.014 55.803 -1.093 0.000 0.932 133 Q CB 0.183 27.771 28.738 -1.916 0.000 1.007 133 Q HN 0.522 nan 8.270 nan 0.000 0.508 134 G N 0.254 108.650 108.800 -0.673 0.000 2.132 134 G HA2 -0.248 3.712 3.960 0.001 0.000 0.234 134 G HA3 -0.248 3.712 3.960 0.001 0.000 0.234 134 G C -0.540 174.175 174.900 -0.309 0.000 0.989 134 G CA -0.161 44.684 45.100 -0.425 0.000 0.676 134 G HN 0.193 nan 8.290 nan 0.000 0.522 135 Y N -0.130 119.993 120.300 -0.295 0.000 2.299 135 Y HA 0.607 5.157 4.550 0.001 0.000 0.326 135 Y C 1.010 176.846 175.900 -0.105 0.000 1.164 135 Y CA -2.049 55.943 58.100 -0.180 0.000 1.234 135 Y CB 0.247 38.637 38.460 -0.117 0.000 1.219 135 Y HN 0.201 nan 8.280 nan 0.000 0.497 136 Y N 0.766 121.181 120.300 0.191 0.000 2.511 136 Y HA 0.332 4.883 4.550 0.001 0.000 0.332 136 Y C 0.157 176.244 175.900 0.313 0.000 1.177 136 Y CA -0.080 58.148 58.100 0.213 0.000 1.422 136 Y CB 0.358 38.918 38.460 0.167 0.000 1.271 136 Y HN 0.201 nan 8.280 nan 0.000 0.550 137 V N 4.920 125.124 119.914 0.483 0.000 2.495 137 V HA 0.483 4.604 4.120 0.001 0.000 0.298 137 V C -0.704 175.730 176.094 0.567 0.000 1.031 137 V CA -0.902 61.728 62.300 0.550 0.000 0.871 137 V CB 1.778 33.870 31.823 0.448 0.000 0.988 137 V HN 0.530 nan 8.190 nan 0.000 0.432 138 V N 3.915 124.123 119.914 0.491 0.000 2.604 138 V HA 0.802 4.922 4.120 0.001 0.000 0.305 138 V C -0.411 175.946 176.094 0.438 0.000 1.043 138 V CA 0.053 62.581 62.300 0.380 0.000 0.888 138 V CB 2.384 34.340 31.823 0.221 0.000 0.995 138 V HN 0.915 nan 8.190 nan 0.000 0.429 139 S N 4.509 120.469 115.700 0.434 0.000 2.779 139 S HA 0.590 5.060 4.470 0.001 0.000 0.293 139 S C -0.386 174.462 174.600 0.413 0.000 1.150 139 S CA -0.421 58.078 58.200 0.499 0.000 1.057 139 S CB 1.220 64.863 63.200 0.738 0.000 1.021 139 S HN 0.918 nan 8.310 nan 0.000 0.485 140 S N 2.756 118.668 115.700 0.354 0.000 2.617 140 S HA 0.306 4.777 4.470 0.001 0.000 0.269 140 S C -0.576 174.232 174.600 0.347 0.000 1.292 140 S CA -0.617 57.782 58.200 0.333 0.000 1.010 140 S CB 0.533 63.913 63.200 0.299 0.000 0.944 140 S HN 0.697 nan 8.310 nan 0.000 0.536 141 D N 1.976 122.541 120.400 0.276 0.000 2.517 141 D HA 0.089 4.730 4.640 0.001 0.000 0.220 141 D C 1.366 177.702 176.300 0.060 0.000 1.158 141 D CA -0.113 53.972 54.000 0.140 0.000 0.992 141 D CB -0.118 40.803 40.800 0.202 0.000 1.058 141 D HN 0.599 nan 8.370 nan 0.000 0.516 142 H N 0.432 119.595 119.070 0.156 0.000 2.489 142 H HA -0.047 4.509 4.556 0.001 0.000 0.293 142 H C 0.529 175.906 175.328 0.081 0.000 1.066 142 H CA 0.717 56.831 56.048 0.110 0.000 1.305 142 H CB 0.168 29.992 29.762 0.104 0.000 1.386 142 H HN 0.388 nan 8.280 nan 0.000 0.551 143 E N 1.248 121.391 120.200 -0.094 0.000 2.427 143 E HA 0.148 4.499 4.350 0.001 0.000 0.196 143 E C 1.056 177.669 176.600 0.021 0.000 1.028 143 E CA 0.215 56.632 56.400 0.029 0.000 0.864 143 E CB 0.145 29.873 29.700 0.047 0.000 0.813 143 E HN 0.636 nan 8.360 nan 0.000 0.514 144 G N 1.064 109.864 108.800 -0.000 0.000 2.804 144 G HA2 -0.306 3.654 3.960 0.001 0.000 0.230 144 G HA3 -0.306 3.654 3.960 0.001 0.000 0.230 144 G C 0.151 175.120 174.900 0.114 0.000 1.386 144 G CA -0.269 44.803 45.100 -0.048 0.000 0.875 144 G HN 0.154 nan 8.290 nan 0.000 0.557 145 F N 0.391 120.319 119.950 -0.036 0.000 2.546 145 F HA 0.071 4.598 4.527 -0.000 0.000 0.298 145 F C 2.588 178.356 175.800 -0.053 0.000 1.120 145 F CA 1.498 59.474 58.000 -0.040 0.000 1.456 145 F CB -0.150 38.822 39.000 -0.047 0.000 1.088 145 F HN 0.275 nan 8.300 nan 0.000 0.572 146 K N 0.100 120.581 120.400 0.135 0.000 2.404 146 K HA 0.350 4.670 4.320 0.001 0.000 0.194 146 K C 0.941 177.584 176.600 0.072 0.000 1.023 146 K CA 0.610 56.944 56.287 0.079 0.000 1.094 146 K CB -0.409 32.121 32.500 0.049 0.000 0.841 146 K HN 0.026 nan 8.250 nan 0.000 0.523 147 A N 1.262 124.128 122.820 0.076 0.000 2.610 147 A HA -0.220 4.100 4.320 0.001 0.000 0.299 147 A C 0.633 178.287 177.584 0.116 0.000 1.487 147 A CA 0.802 52.890 52.037 0.084 0.000 0.743 147 A CB -2.015 17.032 19.000 0.079 0.000 1.070 147 A HN 0.342 nan 8.150 nan 0.000 0.439 148 A N 0.636 123.513 122.820 0.094 0.000 3.091 148 A HA 0.505 4.825 4.320 0.001 0.000 0.264 148 A C 0.155 177.813 177.584 0.123 0.000 1.673 148 A CA -0.049 52.040 52.037 0.086 0.000 1.362 148 A CB -0.742 18.269 19.000 0.019 0.000 1.137 148 A HN 1.658 nan 8.150 nan 0.000 0.617 149 F N 1.647 121.615 119.950 0.029 0.000 2.580 149 F HA 0.110 4.637 4.527 0.001 0.000 0.398 149 F C 0.819 176.599 175.800 -0.032 0.000 1.023 149 F CA 0.770 58.788 58.000 0.030 0.000 1.188 149 F CB -0.081 38.958 39.000 0.064 0.000 1.005 149 F HN 0.469 nan 8.300 nan 0.000 0.546 150 I N 3.157 123.344 120.570 -0.639 0.000 5.447 150 I HA -0.244 3.926 4.170 0.001 0.000 0.154 150 I C 0.336 176.173 176.117 -0.466 0.000 1.813 150 I CA 0.870 61.585 61.300 -0.975 0.000 2.037 150 I CB -1.745 35.449 38.000 -1.344 0.000 3.343 150 I HN 0.843 nan 8.210 nan 0.000 0.169 151 A N 0.782 123.459 122.820 -0.238 0.000 2.544 151 A HA 0.634 4.955 4.320 0.001 0.000 0.301 151 A C 1.674 179.051 177.584 -0.345 0.000 1.368 151 A CA 0.475 52.398 52.037 -0.191 0.000 1.045 151 A CB -0.418 18.520 19.000 -0.103 0.000 1.129 151 A HN 0.723 nan 8.150 nan 0.000 0.540 152 G N 1.121 109.450 108.800 -0.785 0.000 2.440 152 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 152 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 152 G C 1.133 175.228 174.900 -1.342 0.000 1.154 152 G CA 1.478 45.445 45.100 -1.888 0.000 0.767 152 G HN 0.773 nan 8.290 nan 0.000 0.552 153 Y N 0.410 120.188 120.300 -0.870 0.000 2.163 153 Y HA 0.013 4.564 4.550 0.002 0.000 0.288 153 Y C 2.771 178.488 175.900 -0.305 0.000 1.136 153 Y CA 1.307 59.166 58.100 -0.402 0.000 1.147 153 Y CB -0.487 37.789 38.460 -0.306 0.000 0.987 153 Y HN 0.232 nan 8.280 nan 0.000 0.509 154 E N 0.680 120.797 120.200 -0.139 0.000 2.065 154 E HA -0.267 4.084 4.350 0.001 0.000 0.201 154 E C 1.886 178.434 176.600 -0.087 0.000 1.016 154 E CA 2.222 58.549 56.400 -0.121 0.000 0.818 154 E CB -0.094 29.542 29.700 -0.107 0.000 0.749 154 E HN 0.546 nan 8.360 nan 0.000 0.453 155 E N -1.156 118.989 120.200 -0.091 0.000 2.072 155 E HA -0.075 4.275 4.350 0.001 0.000 0.190 155 E C 2.138 178.742 176.600 0.006 0.000 0.982 155 E CA 0.744 57.155 56.400 0.017 0.000 0.803 155 E CB -0.258 29.466 29.700 0.041 0.000 0.755 155 E HN 0.412 nan 8.360 nan 0.000 0.453 156 G N 1.266 110.039 108.800 -0.044 0.000 2.421 156 G HA2 -0.268 3.693 3.960 0.001 0.000 0.216 156 G HA3 -0.268 3.693 3.960 0.001 0.000 0.216 156 G C 1.599 176.476 174.900 -0.038 0.000 1.171 156 G CA 0.764 45.870 45.100 0.009 0.000 0.775 156 G HN 0.059 nan 8.290 nan 0.000 0.543 157 M N 0.745 120.236 119.600 -0.181 0.000 2.086 157 M HA -0.011 4.470 4.480 0.001 0.000 0.261 157 M C 3.096 179.390 176.300 -0.011 0.000 1.067 157 M CA 1.432 56.519 55.300 -0.356 0.000 1.116 157 M CB -0.293 31.922 32.600 -0.641 0.000 1.348 157 M HN 0.314 nan 8.290 nan 0.000 0.407 158 A N 0.497 123.335 122.820 0.029 0.000 1.948 158 A HA -0.183 4.137 4.320 0.001 0.000 0.220 158 A C 2.049 179.777 177.584 0.240 0.000 1.177 158 A CA 1.697 53.828 52.037 0.157 0.000 0.636 158 A CB -0.948 18.115 19.000 0.106 0.000 0.815 158 A HN 0.480 nan 8.150 nan 0.000 0.449 159 I N -0.702 119.965 120.570 0.162 0.000 2.193 159 I HA -0.212 3.959 4.170 0.001 0.000 0.240 159 I C 2.359 178.543 176.117 0.112 0.000 1.084 159 I CA 1.010 62.394 61.300 0.140 0.000 1.365 159 I CB -0.301 37.758 38.000 0.097 0.000 1.064 159 I HN 0.277 nan 8.210 nan 0.000 0.410 160 L N 0.218 121.521 121.223 0.134 0.000 2.042 160 L HA -0.248 4.092 4.340 0.001 0.000 0.210 160 L C 2.072 179.030 176.870 0.146 0.000 1.076 160 L CA 1.261 56.195 54.840 0.156 0.000 0.749 160 L CB -0.686 41.529 42.059 0.261 0.000 0.893 160 L HN 0.260 nan 8.230 nan 0.000 0.432 161 D N -0.015 120.514 120.400 0.215 0.000 2.144 161 D HA -0.105 4.535 4.640 0.001 0.000 0.200 161 D C 2.171 178.358 176.300 -0.189 0.000 0.978 161 D CA 1.366 55.473 54.000 0.178 0.000 0.833 161 D CB -0.282 40.772 40.800 0.422 0.000 0.961 161 D HN 0.329 nan 8.370 nan 0.000 0.470 162 G N 0.924 109.535 108.800 -0.314 0.000 2.440 162 G HA2 -0.238 3.722 3.960 0.001 0.000 0.218 162 G HA3 -0.238 3.722 3.960 0.001 0.000 0.218 162 G C 1.793 176.527 174.900 -0.278 0.000 1.154 162 G CA 0.424 45.161 45.100 -0.606 0.000 0.767 162 G HN 0.267 nan 8.290 nan 0.000 0.552 163 I N -0.002 120.512 120.570 -0.093 0.000 2.179 163 I HA -0.134 4.037 4.170 0.001 0.000 0.242 163 I C 3.006 179.095 176.117 -0.046 0.000 1.088 163 I CA 0.969 62.255 61.300 -0.024 0.000 1.357 163 I CB -0.209 37.803 38.000 0.020 0.000 1.051 163 I HN 0.054 nan 8.210 nan 0.000 0.409 164 R N 0.584 121.053 120.500 -0.051 0.000 2.113 164 R HA -0.238 4.103 4.340 0.001 0.000 0.244 164 R C 2.411 178.674 176.300 -0.061 0.000 1.142 164 R CA 1.828 57.903 56.100 -0.041 0.000 0.953 164 R CB -0.609 29.683 30.300 -0.014 0.000 0.860 164 R HN 0.426 nan 8.270 nan 0.000 0.438 165 A N 1.033 123.764 122.820 -0.148 0.000 1.877 165 A HA -0.160 4.160 4.320 0.001 0.000 0.216 165 A C 2.077 179.637 177.584 -0.040 0.000 1.186 165 A CA 1.136 53.093 52.037 -0.135 0.000 0.620 165 A CB -0.542 18.231 19.000 -0.378 0.000 0.822 165 A HN 0.268 nan 8.150 nan 0.000 0.443 166 L N 0.043 121.236 121.223 -0.051 0.000 2.042 166 L HA -0.188 4.153 4.340 0.001 0.000 0.210 166 L C 2.151 179.029 176.870 0.014 0.000 1.076 166 L CA 2.414 57.277 54.840 0.038 0.000 0.749 166 L CB -0.608 41.485 42.059 0.056 0.000 0.893 166 L HN 0.378 nan 8.230 nan 0.000 0.432 167 K N -0.653 119.729 120.400 -0.031 0.000 2.097 167 K HA -0.128 4.193 4.320 0.001 0.000 0.206 167 K C 1.920 178.488 176.600 -0.052 0.000 1.049 167 K CA 1.351 57.598 56.287 -0.067 0.000 0.933 167 K CB -0.264 32.202 32.500 -0.055 0.000 0.717 167 K HN 0.388 nan 8.250 nan 0.000 0.442 168 N N 0.477 119.169 118.700 -0.013 0.000 2.080 168 N HA -0.182 4.559 4.740 0.001 0.000 0.189 168 N C 1.706 177.220 175.510 0.006 0.000 1.036 168 N CA 1.157 54.209 53.050 0.003 0.000 0.846 168 N CB -0.566 37.943 38.487 0.037 0.000 1.015 168 N HN 0.182 nan 8.380 nan 0.000 0.423 169 Y N 1.635 121.891 120.300 -0.074 0.000 2.165 169 Y HA -0.140 4.410 4.550 0.001 0.000 0.286 169 Y C 1.775 177.607 175.900 -0.113 0.000 1.155 169 Y CA 1.654 59.699 58.100 -0.091 0.000 1.164 169 Y CB -0.021 38.381 38.460 -0.098 0.000 0.978 169 Y HN 0.065 nan 8.280 nan 0.000 0.513 170 Q N 0.438 120.124 119.800 -0.189 0.000 2.319 170 Q HA 0.083 4.424 4.340 0.001 0.000 0.202 170 Q C -0.382 175.491 176.000 -0.211 0.000 0.896 170 Q CA 0.519 56.171 55.803 -0.252 0.000 0.942 170 Q CB -0.380 28.251 28.738 -0.180 0.000 1.083 170 Q HN 0.682 nan 8.270 nan 0.000 0.510 171 N N 0.409 119.007 118.700 -0.169 0.000 2.725 171 N HA -0.197 4.543 4.740 0.001 0.000 0.251 171 N C -0.830 174.603 175.510 -0.129 0.000 1.031 171 N CA 0.117 53.091 53.050 -0.127 0.000 0.720 171 N CB -1.401 37.017 38.487 -0.115 0.000 0.930 171 N HN 0.224 nan 8.380 nan 0.000 0.543 172 L N -0.187 120.941 121.223 -0.159 0.000 2.436 172 L HA 0.412 4.752 4.340 0.001 0.000 0.265 172 L C -1.428 175.380 176.870 -0.103 0.000 1.168 172 L CA -1.758 52.979 54.840 -0.173 0.000 0.815 172 L CB 0.154 42.063 42.059 -0.250 0.000 1.109 172 L HN -0.100 nan 8.230 nan 0.000 0.462 173 P HA -0.005 nan 4.420 nan 0.000 0.267 173 P C 0.503 177.776 177.300 -0.045 0.000 1.200 173 P CA -0.141 62.928 63.100 -0.051 0.000 0.772 173 P CB 0.672 32.350 31.700 -0.037 0.000 0.855 174 S N 1.095 116.775 115.700 -0.033 0.000 2.383 174 S HA -0.209 4.261 4.470 0.001 0.000 0.229 174 S C 1.147 175.737 174.600 -0.017 0.000 1.030 174 S CA 1.598 59.783 58.200 -0.025 0.000 1.002 174 S CB -0.919 62.270 63.200 -0.019 0.000 0.829 174 S HN 0.615 nan 8.310 nan 0.000 0.467 175 D N 1.379 121.772 120.400 -0.013 0.000 2.325 175 D HA 0.165 4.806 4.640 0.001 0.000 0.234 175 D C -0.296 176.005 176.300 0.001 0.000 1.122 175 D CA -0.218 53.780 54.000 -0.004 0.000 0.850 175 D CB -0.687 40.113 40.800 0.000 0.000 0.921 175 D HN 0.209 nan 8.370 nan 0.000 0.513 176 S N 0.851 116.546 115.700 -0.008 0.000 2.626 176 S HA -0.051 4.420 4.470 0.001 0.000 0.303 176 S C 0.452 175.072 174.600 0.035 0.000 1.256 176 S CA -0.054 58.146 58.200 -0.000 0.000 1.069 176 S CB 0.345 63.526 63.200 -0.031 0.000 0.807 176 S HN 0.222 nan 8.310 nan 0.000 0.500 177 K N 2.136 122.580 120.400 0.074 0.000 2.451 177 K HA 0.179 4.500 4.320 0.001 0.000 0.280 177 K C -0.572 176.179 176.600 0.251 0.000 1.020 177 K CA 0.002 56.384 56.287 0.158 0.000 1.008 177 K CB 0.369 33.038 32.500 0.281 0.000 0.917 177 K HN 0.281 nan 8.250 nan 0.000 0.478 178 V N 2.226 122.217 119.914 0.129 0.000 2.495 178 V HA 0.611 4.732 4.120 0.001 0.000 0.298 178 V C -0.396 175.619 176.094 -0.132 0.000 1.031 178 V CA -0.833 61.518 62.300 0.085 0.000 0.871 178 V CB 1.576 33.391 31.823 -0.013 0.000 0.988 178 V HN 0.915 nan 8.190 nan 0.000 0.432 179 A N 4.904 127.644 122.820 -0.135 0.000 2.413 179 A HA 1.016 5.337 4.320 0.001 0.000 0.307 179 A C -1.480 175.969 177.584 -0.225 0.000 1.087 179 A CA -0.586 51.253 52.037 -0.331 0.000 0.750 179 A CB 1.574 20.160 19.000 -0.691 0.000 1.296 179 A HN 0.677 nan 8.150 nan 0.000 0.423 180 L N 0.788 121.902 121.223 -0.182 0.000 2.381 180 L HA 0.726 5.066 4.340 0.001 0.000 0.268 180 L C -0.077 176.757 176.870 -0.060 0.000 0.997 180 L CA -0.178 54.573 54.840 -0.148 0.000 0.818 180 L CB 2.033 44.067 42.059 -0.042 0.000 1.310 180 L HN 0.758 nan 8.230 nan 0.000 0.416 181 E N 0.899 121.054 120.200 -0.075 0.000 2.343 181 E HA 0.786 5.136 4.350 0.001 0.000 0.278 181 E C -1.347 175.368 176.600 0.191 0.000 0.910 181 E CA -0.525 55.981 56.400 0.175 0.000 0.757 181 E CB 2.699 32.574 29.700 0.290 0.000 1.218 181 E HN 0.730 nan 8.360 nan 0.000 0.435 182 G N 1.806 110.768 108.800 0.270 0.000 2.547 182 G HA2 0.422 4.383 3.960 0.001 0.000 0.291 182 G HA3 0.422 4.383 3.960 0.001 0.000 0.291 182 G C -2.351 172.705 174.900 0.259 0.000 1.471 182 G CA -0.606 44.587 45.100 0.155 0.000 0.798 182 G HN 0.315 nan 8.290 nan 0.000 0.504 183 Y N 0.622 121.019 120.300 0.161 0.000 2.512 183 Y HA 0.646 5.197 4.550 0.001 0.000 0.348 183 Y C 0.907 176.880 175.900 0.121 0.000 0.990 183 Y CA 0.841 58.981 58.100 0.067 0.000 1.033 183 Y CB 2.265 40.845 38.460 0.200 0.000 1.259 183 Y HN 1.512 nan 8.280 nan 0.000 0.461 184 S N 1.888 117.190 115.700 -0.664 0.000 4.064 184 S HA -0.302 4.169 4.470 0.001 0.000 0.625 184 S C 1.494 176.087 174.600 -0.012 0.000 2.010 184 S CA 1.706 59.738 58.200 -0.279 0.000 4.186 184 S CB -1.675 61.555 63.200 0.050 0.000 0.211 184 S HN 1.631 nan 8.310 nan 0.000 0.605 185 G N 0.815 109.725 108.800 0.185 0.000 2.462 185 G HA2 0.046 4.007 3.960 0.001 0.000 0.220 185 G HA3 0.046 4.007 3.960 0.001 0.000 0.220 185 G C 1.459 176.478 174.900 0.199 0.000 1.121 185 G CA 1.368 46.632 45.100 0.273 0.000 0.758 185 G HN 1.374 nan 8.290 nan 0.000 0.559 186 G N 0.582 109.487 108.800 0.176 0.000 2.448 186 G HA2 0.172 4.133 3.960 0.001 0.000 0.218 186 G HA3 0.172 4.133 3.960 0.001 0.000 0.218 186 G C 1.887 176.729 174.900 -0.098 0.000 1.135 186 G CA 1.243 46.329 45.100 -0.023 0.000 0.784 186 G HN 0.586 nan 8.290 nan 0.000 0.543 187 A N 0.023 122.795 122.820 -0.080 0.000 1.968 187 A HA -0.007 4.314 4.320 0.001 0.000 0.217 187 A C 2.053 179.480 177.584 -0.261 0.000 1.169 187 A CA 1.573 53.490 52.037 -0.199 0.000 0.638 187 A CB -0.694 18.161 19.000 -0.241 0.000 0.812 187 A HN 0.489 nan 8.150 nan 0.000 0.446 188 H N 0.413 119.368 119.070 -0.193 0.000 2.321 188 H HA -0.089 4.468 4.556 0.001 0.000 0.300 188 H C 2.214 177.512 175.328 -0.050 0.000 1.087 188 H CA 1.808 57.790 56.048 -0.111 0.000 1.319 188 H CB -0.234 29.484 29.762 -0.074 0.000 1.379 188 H HN 0.382 nan 8.280 nan 0.000 0.501 189 A N 0.378 123.165 122.820 -0.055 0.000 1.877 189 A HA -0.163 4.157 4.320 0.001 0.000 0.216 189 A C 2.684 180.162 177.584 -0.177 0.000 1.186 189 A CA 2.262 54.205 52.037 -0.156 0.000 0.620 189 A CB -1.136 17.584 19.000 -0.467 0.000 0.822 189 A HN 0.563 nan 8.150 nan 0.000 0.443 190 T N -0.683 113.732 114.554 -0.232 0.000 2.652 190 T HA -0.166 4.185 4.350 0.001 0.000 0.267 190 T C 1.851 176.370 174.700 -0.301 0.000 1.039 190 T CA 1.613 63.579 62.100 -0.223 0.000 1.153 190 T CB -0.696 68.055 68.868 -0.196 0.000 0.863 190 T HN 0.195 nan 8.240 nan 0.000 0.428 191 V N -0.362 119.207 119.914 -0.575 0.000 2.407 191 V HA -0.141 3.979 4.120 0.001 0.000 0.248 191 V C 1.976 177.787 176.094 -0.472 0.000 1.055 191 V CA 1.585 63.523 62.300 -0.604 0.000 1.049 191 V CB -0.560 30.765 31.823 -0.831 0.000 0.662 191 V HN 0.653 nan 8.190 nan 0.000 0.455 192 W N -0.079 120.949 121.300 -0.454 0.000 2.374 192 W HA -0.051 4.610 4.660 0.002 0.000 0.288 192 W C 2.526 178.910 176.519 -0.224 0.000 1.218 192 W CA 1.703 58.817 57.345 -0.385 0.000 1.245 192 W CB -0.467 28.697 29.460 -0.493 0.000 1.126 192 W HN 0.296 nan 8.180 nan 0.000 0.545 193 A N -0.177 122.658 122.820 0.025 0.000 1.897 193 A HA -0.178 4.142 4.320 0.001 0.000 0.215 193 A C 1.984 179.610 177.584 0.070 0.000 1.181 193 A CA 2.246 54.313 52.037 0.049 0.000 0.620 193 A CB -1.531 17.489 19.000 0.033 0.000 0.821 193 A HN 0.298 nan 8.150 nan 0.000 0.443 194 T N -2.469 112.121 114.554 0.061 0.000 2.788 194 T HA -0.122 4.228 4.350 0.001 0.000 0.268 194 T C 1.954 176.714 174.700 0.101 0.000 1.044 194 T CA 2.012 64.219 62.100 0.179 0.000 1.139 194 T CB -0.568 68.472 68.868 0.287 0.000 0.867 194 T HN 0.270 nan 8.240 nan 0.000 0.454 195 S N 1.533 117.209 115.700 -0.040 0.000 2.387 195 S HA 0.232 4.702 4.470 0.001 0.000 0.226 195 S C 1.858 176.469 174.600 0.019 0.000 1.026 195 S CA 0.810 58.955 58.200 -0.091 0.000 0.972 195 S CB -0.364 62.629 63.200 -0.344 0.000 0.814 195 S HN 0.457 nan 8.310 nan 0.000 0.477 196 L N 1.003 122.268 121.223 0.069 0.000 2.558 196 L HA 0.179 4.519 4.340 0.001 0.000 0.225 196 L C 2.538 179.521 176.870 0.189 0.000 1.128 196 L CA 0.332 55.257 54.840 0.142 0.000 0.868 196 L CB -0.657 41.482 42.059 0.133 0.000 1.006 196 L HN 0.269 nan 8.230 nan 0.000 0.454 197 A N 0.922 123.844 122.820 0.171 0.000 1.873 197 A HA -0.261 4.059 4.320 0.001 0.000 0.218 197 A C 2.138 179.820 177.584 0.163 0.000 1.193 197 A CA 1.922 54.067 52.037 0.180 0.000 0.629 197 A CB -0.422 18.692 19.000 0.190 0.000 0.826 197 A HN 0.445 nan 8.150 nan 0.000 0.447 198 E N -0.059 120.229 120.200 0.148 0.000 2.048 198 E HA -0.233 4.117 4.350 0.001 0.000 0.202 198 E C 2.468 179.136 176.600 0.113 0.000 1.021 198 E CA 2.104 58.574 56.400 0.117 0.000 0.825 198 E CB -0.275 29.482 29.700 0.095 0.000 0.756 198 E HN 0.820 nan 8.360 nan 0.000 0.454 199 S N -0.545 115.239 115.700 0.140 0.000 2.406 199 S HA -0.116 4.354 4.470 0.001 0.000 0.224 199 S C 1.971 176.678 174.600 0.179 0.000 1.030 199 S CA 0.642 58.929 58.200 0.145 0.000 0.958 199 S CB -0.316 62.979 63.200 0.159 0.000 0.811 199 S HN 0.341 nan 8.310 nan 0.000 0.489 200 Y N 2.104 122.450 120.300 0.077 0.000 2.389 200 Y HA 0.568 5.118 4.550 0.000 0.000 0.292 200 Y C 1.300 177.236 175.900 0.060 0.000 1.117 200 Y CA 0.275 58.418 58.100 0.071 0.000 1.195 200 Y CB 0.227 38.739 38.460 0.087 0.000 1.076 200 Y HN 0.375 nan 8.280 nan 0.000 0.548 201 A N 0.713 123.607 122.820 0.124 0.000 3.365 201 A HA 0.378 4.699 4.320 0.001 0.000 0.258 201 A C -2.190 175.424 177.584 0.050 0.000 0.964 201 A CA -0.786 51.275 52.037 0.038 0.000 0.988 201 A CB -0.160 18.907 19.000 0.111 0.000 1.193 201 A HN 0.194 nan 8.150 nan 0.000 0.508 202 P HA -0.136 nan 4.420 nan 0.000 0.229 202 P C 1.047 178.364 177.300 0.028 0.000 1.160 202 P CA 0.980 64.108 63.100 0.046 0.000 0.777 202 P CB 0.290 32.014 31.700 0.039 0.000 0.814 203 E N 0.968 121.174 120.200 0.009 0.000 2.347 203 E HA -0.084 4.267 4.350 0.001 0.000 0.196 203 E C 0.547 177.149 176.600 0.003 0.000 1.008 203 E CA 0.185 56.587 56.400 0.003 0.000 0.852 203 E CB -0.888 28.807 29.700 -0.009 0.000 0.783 203 E HN 0.322 nan 8.360 nan 0.000 0.505 204 L N 3.012 124.240 121.223 0.008 0.000 2.433 204 L HA 0.080 4.421 4.340 0.001 0.000 0.275 204 L C 0.656 177.517 176.870 -0.016 0.000 1.128 204 L CA -0.363 54.476 54.840 -0.002 0.000 0.875 204 L CB -0.134 41.928 42.059 0.005 0.000 1.171 204 L HN -0.076 nan 8.230 nan 0.000 0.463 205 N N 5.051 123.739 118.700 -0.020 0.000 3.103 205 N HA 0.112 4.853 4.740 0.001 0.000 0.305 205 N C -0.154 175.304 175.510 -0.087 0.000 1.232 205 N CA -0.046 52.987 53.050 -0.028 0.000 1.190 205 N CB -0.252 38.232 38.487 -0.005 0.000 1.461 205 N HN 0.444 nan 8.380 nan 0.000 0.538 206 I N 1.631 122.092 120.570 -0.181 0.000 2.505 206 I HA -0.066 4.105 4.170 0.001 0.000 0.287 206 I C 1.504 177.323 176.117 -0.497 0.000 1.104 206 I CA -0.310 60.732 61.300 -0.430 0.000 1.387 206 I CB 0.740 38.295 38.000 -0.741 0.000 1.404 206 I HN 0.191 nan 8.210 nan 0.000 0.528 207 V N 2.949 122.633 119.914 -0.383 0.000 3.660 207 V HA 0.563 4.683 4.120 0.001 0.000 0.276 207 V C 0.682 176.633 176.094 -0.239 0.000 1.317 207 V CA 0.418 62.571 62.300 -0.245 0.000 1.097 207 V CB -0.109 31.607 31.823 -0.179 0.000 0.863 207 V HN 0.823 nan 8.190 nan 0.000 0.438 208 G N -1.005 107.583 108.800 -0.354 0.000 2.519 208 G HA2 0.782 4.743 3.960 0.001 0.000 0.292 208 G HA3 0.782 4.743 3.960 0.001 0.000 0.292 208 G C -1.428 173.501 174.900 0.048 0.000 1.507 208 G CA -0.048 45.035 45.100 -0.027 0.000 0.806 208 G HN 1.117 nan 8.290 nan 0.000 0.523 209 A N -0.331 122.740 122.820 0.418 0.000 2.574 209 A HA 0.926 5.246 4.320 0.001 0.000 0.297 209 A C -0.760 177.064 177.584 0.401 0.000 1.062 209 A CA -0.332 51.920 52.037 0.359 0.000 0.686 209 A CB 1.892 21.146 19.000 0.423 0.000 1.285 209 A HN 1.689 nan 8.150 nan 0.000 0.403 210 S N 0.284 116.214 115.700 0.384 0.000 2.668 210 S HA 0.707 5.177 4.470 0.001 0.000 0.277 210 S C -1.318 173.580 174.600 0.497 0.000 1.170 210 S CA -0.407 58.059 58.200 0.442 0.000 0.994 210 S CB 0.557 64.112 63.200 0.593 0.000 1.051 210 S HN 1.449 nan 8.310 nan 0.000 0.484 211 H N 0.211 119.452 119.070 0.285 0.000 3.064 211 H HA 0.808 5.365 4.556 0.001 0.000 0.352 211 H C -0.302 174.645 175.328 -0.635 0.000 1.260 211 H CA -0.956 55.038 56.048 -0.092 0.000 1.160 211 H CB 0.949 30.650 29.762 -0.102 0.000 1.879 211 H HN 0.717 nan 8.280 nan 0.000 0.544 212 G N -0.930 107.232 108.800 -1.063 0.000 2.660 212 G HA2 0.498 4.459 3.960 0.001 0.000 0.294 212 G HA3 0.498 4.459 3.960 0.001 0.000 0.294 212 G C 0.366 174.467 174.900 -1.332 0.000 1.369 212 G CA -0.868 43.260 45.100 -1.620 0.000 0.912 212 G HN 1.605 nan 8.290 nan 0.000 0.479 213 G N -0.042 108.025 108.800 -1.221 0.000 2.305 213 G HA2 -0.161 3.800 3.960 0.001 0.000 0.287 213 G HA3 -0.161 3.800 3.960 0.001 0.000 0.287 213 G C 0.381 174.897 174.900 -0.640 0.000 1.036 213 G CA 0.577 44.903 45.100 -1.289 0.000 0.887 213 G HN 1.175 nan 8.290 nan 0.000 0.505 214 T N 1.894 116.292 114.554 -0.261 0.000 2.752 214 T HA 0.438 4.789 4.350 0.001 0.000 0.295 214 T C -2.128 172.553 174.700 -0.033 0.000 0.923 214 T CA -0.673 61.360 62.100 -0.112 0.000 1.112 214 T CB 1.558 70.412 68.868 -0.024 0.000 0.884 214 T HN 0.185 nan 8.240 nan 0.000 0.525 215 P HA 0.162 nan 4.420 nan 0.000 0.275 215 P C 0.906 178.223 177.300 0.028 0.000 1.276 215 P CA -0.374 62.725 63.100 -0.001 0.000 0.782 215 P CB 0.512 32.212 31.700 0.000 0.000 0.851 216 V N 0.848 120.724 119.914 -0.063 0.000 3.431 216 V HA 0.192 4.312 4.120 0.001 0.000 0.253 216 V C 0.727 176.804 176.094 -0.028 0.000 1.184 216 V CA 0.520 62.724 62.300 -0.162 0.000 1.104 216 V CB 0.012 31.637 31.823 -0.330 0.000 0.799 216 V HN 0.439 nan 8.190 nan 0.000 0.462 217 S N 0.030 115.742 115.700 0.020 0.000 2.659 217 S HA 0.771 5.242 4.470 0.001 0.000 0.312 217 S C 0.969 175.620 174.600 0.086 0.000 1.114 217 S CA 0.067 58.305 58.200 0.063 0.000 1.063 217 S CB 1.647 64.864 63.200 0.028 0.000 0.996 217 S HN 0.678 nan 8.310 nan 0.000 0.478 218 A N 5.394 128.279 122.820 0.108 0.000 1.877 218 A HA -0.067 4.253 4.320 0.001 0.000 0.216 218 A C 2.021 179.668 177.584 0.105 0.000 1.186 218 A CA 1.862 53.936 52.037 0.061 0.000 0.620 218 A CB -0.677 18.333 19.000 0.018 0.000 0.822 218 A HN 0.862 nan 8.150 nan 0.000 0.443 219 K N -0.514 119.945 120.400 0.099 0.000 2.032 219 K HA -0.234 4.087 4.320 0.001 0.000 0.209 219 K C 1.419 178.148 176.600 0.216 0.000 1.048 219 K CA 1.942 58.315 56.287 0.144 0.000 0.927 219 K CB -0.261 32.297 32.500 0.096 0.000 0.712 219 K HN 0.395 nan 8.250 nan 0.000 0.441 220 D N -0.250 120.235 120.400 0.143 0.000 2.144 220 D HA -0.112 4.528 4.640 0.001 0.000 0.199 220 D C 1.801 178.192 176.300 0.152 0.000 0.984 220 D CA 1.487 55.565 54.000 0.130 0.000 0.834 220 D CB -0.409 40.420 40.800 0.050 0.000 0.955 220 D HN 0.313 nan 8.370 nan 0.000 0.465 221 T N 0.474 115.107 114.554 0.132 0.000 2.812 221 T HA -0.103 4.248 4.350 0.001 0.000 0.264 221 T C 1.700 176.534 174.700 0.222 0.000 1.042 221 T CA 0.428 62.609 62.100 0.135 0.000 1.140 221 T CB -0.464 68.447 68.868 0.071 0.000 0.870 221 T HN 0.110 nan 8.240 nan 0.000 0.445 222 F N 2.972 122.984 119.950 0.103 0.000 2.043 222 F HA -0.262 4.266 4.527 0.002 0.000 0.297 222 F C 2.680 178.566 175.800 0.143 0.000 1.121 222 F CA 2.177 60.239 58.000 0.104 0.000 1.199 222 F CB -0.977 38.055 39.000 0.052 0.000 0.968 222 F HN 0.248 nan 8.300 nan 0.000 0.478 223 T N -1.851 112.804 114.554 0.168 0.000 2.881 223 T HA -0.268 4.082 4.350 0.001 0.000 0.270 223 T C 1.888 176.628 174.700 0.066 0.000 1.068 223 T CA 1.398 63.547 62.100 0.082 0.000 1.131 223 T CB -1.317 67.692 68.868 0.235 0.000 0.871 223 T HN 0.368 nan 8.240 nan 0.000 0.479 224 F N 1.233 121.173 119.950 -0.016 0.000 2.206 224 F HA 0.314 4.842 4.527 0.001 0.000 0.298 224 F C 1.898 177.693 175.800 -0.009 0.000 1.090 224 F CA 0.715 58.721 58.000 0.009 0.000 1.323 224 F CB -0.113 38.910 39.000 0.037 0.000 1.028 224 F HN 0.089 nan 8.300 nan 0.000 0.492 225 L N -0.637 120.631 121.223 0.074 0.000 2.249 225 L HA -0.019 4.322 4.340 0.001 0.000 0.207 225 L C 0.540 177.343 176.870 -0.111 0.000 1.090 225 L CA 0.017 54.874 54.840 0.028 0.000 0.802 225 L CB -0.625 41.520 42.059 0.143 0.000 0.947 225 L HN -0.030 nan 8.230 nan 0.000 0.453 226 N N 0.642 119.154 118.700 -0.314 0.000 2.412 226 N HA 0.068 4.809 4.740 0.001 0.000 0.254 226 N C 1.055 176.488 175.510 -0.127 0.000 1.232 226 N CA 1.339 54.177 53.050 -0.353 0.000 0.880 226 N CB 0.839 38.907 38.487 -0.698 0.000 1.076 226 N HN 0.324 nan 8.380 nan 0.000 0.458 227 G N 1.049 109.821 108.800 -0.046 0.000 2.212 227 G HA2 -0.204 3.756 3.960 0.001 0.000 0.266 227 G HA3 -0.204 3.756 3.960 0.001 0.000 0.266 227 G C 0.539 175.514 174.900 0.125 0.000 0.978 227 G CA 0.548 45.680 45.100 0.052 0.000 0.632 227 G HN 0.938 nan 8.290 nan 0.000 0.537 228 G N -0.163 108.665 108.800 0.045 0.000 2.568 228 G HA2 0.635 4.595 3.960 0.001 0.000 0.293 228 G HA3 0.635 4.595 3.960 0.001 0.000 0.293 228 G C -0.779 174.005 174.900 -0.193 0.000 1.347 228 G CA -0.167 44.973 45.100 0.066 0.000 1.039 228 G HN 0.062 nan 8.290 nan 0.000 0.523 229 P HA 0.008 nan 4.420 nan 0.000 0.220 229 P C 0.424 177.234 177.300 -0.818 0.000 1.148 229 P CA 1.030 63.632 63.100 -0.831 0.000 0.803 229 P CB 0.074 31.409 31.700 -0.608 0.000 0.782 230 F N -1.787 118.074 119.950 -0.148 0.000 2.791 230 F HA 0.448 4.975 4.527 0.001 0.000 0.308 230 F C 1.819 177.588 175.800 -0.052 0.000 1.138 230 F CA -0.478 57.478 58.000 -0.073 0.000 1.294 230 F CB -0.759 38.350 39.000 0.183 0.000 0.975 230 F HN -0.158 nan 8.300 nan 0.000 0.512 231 A N 0.352 123.168 122.820 -0.006 0.000 2.139 231 A HA -0.107 4.214 4.320 0.001 0.000 0.221 231 A C 2.555 180.137 177.584 -0.003 0.000 1.159 231 A CA 1.795 53.826 52.037 -0.009 0.000 0.662 231 A CB -1.148 17.819 19.000 -0.054 0.000 0.796 231 A HN 0.499 nan 8.150 nan 0.000 0.463 232 G N -0.961 107.824 108.800 -0.025 0.000 2.450 232 G HA2 -0.181 3.780 3.960 0.001 0.000 0.220 232 G HA3 -0.181 3.780 3.960 0.001 0.000 0.220 232 G C 1.212 176.108 174.900 -0.006 0.000 1.130 232 G CA 1.112 46.213 45.100 0.001 0.000 0.760 232 G HN 0.457 nan 8.290 nan 0.000 0.557 233 F N 1.766 121.838 119.950 0.204 0.000 2.216 233 F HA 0.106 4.633 4.527 0.001 0.000 0.300 233 F C 2.946 178.896 175.800 0.250 0.000 1.085 233 F CA 0.263 58.406 58.000 0.237 0.000 1.326 233 F CB -0.795 38.363 39.000 0.263 0.000 1.027 233 F HN 0.252 nan 8.300 nan 0.000 0.497 234 A N 0.179 123.189 122.820 0.316 0.000 1.858 234 A HA -0.181 4.140 4.320 0.001 0.000 0.216 234 A C 2.186 179.931 177.584 0.269 0.000 1.190 234 A CA 1.695 53.889 52.037 0.261 0.000 0.617 234 A CB -1.220 17.765 19.000 -0.025 0.000 0.827 234 A HN 0.328 nan 8.150 nan 0.000 0.443 235 L N -0.263 121.022 121.223 0.103 0.000 2.079 235 L HA -0.090 4.250 4.340 0.001 0.000 0.210 235 L C 2.648 179.561 176.870 0.072 0.000 1.081 235 L CA 2.178 57.015 54.840 -0.006 0.000 0.752 235 L CB -0.710 41.177 42.059 -0.287 0.000 0.896 235 L HN 0.365 nan 8.230 nan 0.000 0.433 236 A N -0.553 122.379 122.820 0.186 0.000 1.877 236 A HA -0.070 4.251 4.320 0.001 0.000 0.216 236 A C 2.369 180.220 177.584 0.446 0.000 1.186 236 A CA 1.535 53.759 52.037 0.311 0.000 0.620 236 A CB -1.611 17.594 19.000 0.341 0.000 0.822 236 A HN 0.516 nan 8.150 nan 0.000 0.443 237 G N -0.415 108.653 108.800 0.447 0.000 2.440 237 G HA2 -0.159 3.801 3.960 0.001 0.000 0.218 237 G HA3 -0.159 3.801 3.960 0.001 0.000 0.218 237 G C 1.531 176.475 174.900 0.074 0.000 1.154 237 G CA 1.358 46.560 45.100 0.170 0.000 0.767 237 G HN 0.324 nan 8.290 nan 0.000 0.552 238 V N 0.870 120.832 119.914 0.080 0.000 2.255 238 V HA -0.226 3.894 4.120 0.001 0.000 0.247 238 V C 3.032 179.136 176.094 0.018 0.000 1.051 238 V CA 2.395 64.689 62.300 -0.010 0.000 1.018 238 V CB -0.791 31.009 31.823 -0.039 0.000 0.641 238 V HN 0.516 nan 8.190 nan 0.000 0.445 239 S N 0.378 116.109 115.700 0.051 0.000 2.359 239 S HA -0.193 4.278 4.470 0.001 0.000 0.223 239 S C 2.090 176.740 174.600 0.084 0.000 1.039 239 S CA 2.171 60.406 58.200 0.058 0.000 1.042 239 S CB -0.874 62.364 63.200 0.063 0.000 0.915 239 S HN 0.650 nan 8.310 nan 0.000 0.439 240 G N 1.510 110.390 108.800 0.134 0.000 2.421 240 G HA2 -0.112 3.848 3.960 0.001 0.000 0.216 240 G HA3 -0.112 3.848 3.960 0.001 0.000 0.216 240 G C 1.501 176.436 174.900 0.057 0.000 1.171 240 G CA 0.986 46.163 45.100 0.129 0.000 0.775 240 G HN 0.524 nan 8.290 nan 0.000 0.543 241 L N 0.804 122.043 121.223 0.026 0.000 2.042 241 L HA -0.115 4.225 4.340 0.001 0.000 0.210 241 L C 3.181 180.122 176.870 0.119 0.000 1.076 241 L CA 1.407 56.284 54.840 0.062 0.000 0.749 241 L CB -0.492 41.555 42.059 -0.019 0.000 0.893 241 L HN 0.187 nan 8.230 nan 0.000 0.432 242 S N 0.025 115.763 115.700 0.063 0.000 2.419 242 S HA -0.110 4.360 4.470 0.001 0.000 0.233 242 S C 1.878 176.516 174.600 0.063 0.000 1.016 242 S CA 1.054 59.295 58.200 0.068 0.000 0.974 242 S CB -0.241 62.984 63.200 0.041 0.000 0.786 242 S HN 0.304 nan 8.310 nan 0.000 0.492 243 L N 0.387 121.642 121.223 0.053 0.000 2.478 243 L HA 0.080 4.420 4.340 0.001 0.000 0.223 243 L C 2.214 179.081 176.870 -0.005 0.000 1.140 243 L CA 0.733 55.593 54.840 0.033 0.000 0.842 243 L CB -0.268 41.819 42.059 0.047 0.000 0.953 243 L HN 0.324 nan 8.230 nan 0.000 0.452 244 A N -2.541 120.265 122.820 -0.023 0.000 2.229 244 A HA 0.126 4.447 4.320 0.001 0.000 0.211 244 A C 0.510 177.872 177.584 -0.369 0.000 1.193 244 A CA 0.046 51.978 52.037 -0.175 0.000 0.879 244 A CB 0.128 19.011 19.000 -0.195 0.000 0.911 244 A HN 0.287 nan 8.150 nan 0.000 0.492 245 H N -0.367 118.678 119.070 -0.042 0.000 2.866 245 H HA 0.217 4.774 4.556 0.001 0.000 0.287 245 H C -2.239 173.074 175.328 -0.026 0.000 1.106 245 H CA -1.524 54.496 56.048 -0.046 0.000 1.396 245 H CB 1.414 31.142 29.762 -0.055 0.000 1.469 245 H HN 0.138 nan 8.280 nan 0.000 0.500 246 P HA -0.143 nan 4.420 nan 0.000 0.215 246 P C 1.091 178.424 177.300 0.055 0.000 1.153 246 P CA 1.029 64.151 63.100 0.037 0.000 0.853 246 P CB 0.593 32.299 31.700 0.010 0.000 0.788 247 D N -1.258 119.175 120.400 0.055 0.000 2.178 247 D HA -0.138 4.502 4.640 0.001 0.000 0.201 247 D C 1.849 178.196 176.300 0.079 0.000 0.980 247 D CA 0.959 54.994 54.000 0.060 0.000 0.842 247 D CB -0.622 40.196 40.800 0.030 0.000 0.948 247 D HN 0.188 nan 8.370 nan 0.000 0.472 248 M N 0.581 120.220 119.600 0.066 0.000 2.132 248 M HA -0.199 4.281 4.480 0.001 0.000 0.263 248 M C 2.008 178.377 176.300 0.114 0.000 1.065 248 M CA 1.557 56.895 55.300 0.064 0.000 1.122 248 M CB 0.132 32.733 32.600 0.002 0.000 1.365 248 M HN -0.229 nan 8.290 nan 0.000 0.411 249 E N 0.372 120.625 120.200 0.089 0.000 2.070 249 E HA -0.174 4.177 4.350 0.001 0.000 0.197 249 E C 1.739 178.382 176.600 0.072 0.000 1.004 249 E CA 2.471 58.912 56.400 0.069 0.000 0.805 249 E CB -0.305 29.426 29.700 0.051 0.000 0.744 249 E HN 0.593 nan 8.360 nan 0.000 0.451 250 S N -0.431 115.319 115.700 0.084 0.000 2.356 250 S HA -0.112 4.359 4.470 0.001 0.000 0.223 250 S C 1.655 176.307 174.600 0.086 0.000 1.032 250 S CA 1.058 59.301 58.200 0.071 0.000 1.005 250 S CB -0.586 62.659 63.200 0.075 0.000 0.867 250 S HN 0.405 nan 8.310 nan 0.000 0.449 251 F N 2.071 122.017 119.950 -0.006 0.000 2.069 251 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 251 F C 1.949 177.744 175.800 -0.009 0.000 1.113 251 F CA 1.267 59.262 58.000 -0.008 0.000 1.214 251 F CB -0.400 38.592 39.000 -0.013 0.000 0.978 251 F HN 0.098 nan 8.300 nan 0.000 0.474 252 I N 0.157 120.800 120.570 0.121 0.000 2.179 252 I HA -0.281 3.889 4.170 0.001 0.000 0.242 252 I C 2.373 178.459 176.117 -0.051 0.000 1.088 252 I CA 1.390 62.702 61.300 0.019 0.000 1.357 252 I CB -0.526 37.509 38.000 0.057 0.000 1.051 252 I HN 0.152 nan 8.210 nan 0.000 0.409 253 E N 0.803 120.987 120.200 -0.028 0.000 2.118 253 E HA -0.235 4.115 4.350 0.001 0.000 0.195 253 E C 2.277 178.837 176.600 -0.068 0.000 0.992 253 E CA 1.476 57.854 56.400 -0.037 0.000 0.804 253 E CB -0.278 29.412 29.700 -0.017 0.000 0.741 253 E HN 0.531 nan 8.360 nan 0.000 0.458 254 A N 0.809 123.565 122.820 -0.107 0.000 2.125 254 A HA -0.126 4.195 4.320 0.001 0.000 0.219 254 A C 1.965 179.454 177.584 -0.159 0.000 1.156 254 A CA 1.067 53.022 52.037 -0.137 0.000 0.671 254 A CB -0.173 18.718 19.000 -0.180 0.000 0.794 254 A HN 0.070 nan 8.150 nan 0.000 0.459 255 R N -1.440 118.957 120.500 -0.172 0.000 2.404 255 R HA 0.341 4.682 4.340 0.001 0.000 0.237 255 R C -0.454 175.803 176.300 -0.071 0.000 0.907 255 R CA -0.324 55.689 56.100 -0.146 0.000 1.063 255 R CB 0.173 30.345 30.300 -0.212 0.000 1.134 255 R HN 0.350 nan 8.270 nan 0.000 0.529 256 L N 3.511 124.700 121.223 -0.058 0.000 2.513 256 L HA 0.006 4.346 4.340 0.001 0.000 0.272 256 L C 0.270 177.125 176.870 -0.026 0.000 1.187 256 L CA -0.322 54.499 54.840 -0.033 0.000 0.895 256 L CB -0.038 42.002 42.059 -0.032 0.000 1.147 256 L HN 0.248 nan 8.230 nan 0.000 0.483 257 N N 2.932 121.625 118.700 -0.012 0.000 2.322 257 N HA 0.197 4.938 4.740 0.001 0.000 0.270 257 N C 0.848 176.353 175.510 -0.008 0.000 1.286 257 N CA 0.043 53.088 53.050 -0.008 0.000 0.948 257 N CB 0.375 38.864 38.487 0.003 0.000 1.164 257 N HN 0.523 nan 8.380 nan 0.000 0.551 258 A N -0.592 122.225 122.820 -0.005 0.000 1.902 258 A HA -0.188 4.132 4.320 0.001 0.000 0.217 258 A C 2.041 179.623 177.584 -0.003 0.000 1.181 258 A CA 1.335 53.369 52.037 -0.006 0.000 0.623 258 A CB -0.823 18.175 19.000 -0.004 0.000 0.818 258 A HN 0.689 nan 8.150 nan 0.000 0.443 259 K N -0.669 119.733 120.400 0.003 0.000 2.009 259 K HA -0.166 4.154 4.320 0.001 0.000 0.210 259 K C 2.161 178.762 176.600 0.002 0.000 1.049 259 K CA 1.587 57.879 56.287 0.009 0.000 0.929 259 K CB -0.763 31.748 32.500 0.019 0.000 0.714 259 K HN 0.445 nan 8.250 nan 0.000 0.440 260 G N 0.955 109.753 108.800 -0.004 0.000 2.469 260 G HA2 -0.298 3.663 3.960 0.001 0.000 0.219 260 G HA3 -0.298 3.663 3.960 0.001 0.000 0.219 260 G C 1.462 176.346 174.900 -0.026 0.000 1.150 260 G CA 0.830 45.920 45.100 -0.018 0.000 0.763 260 G HN 0.456 nan 8.290 nan 0.000 0.561 261 Q N -0.353 119.435 119.800 -0.021 0.000 2.079 261 Q HA -0.005 4.336 4.340 0.001 0.000 0.200 261 Q C 2.867 178.851 176.000 -0.027 0.000 0.974 261 Q CA 0.926 56.714 55.803 -0.024 0.000 0.840 261 Q CB -0.119 28.607 28.738 -0.021 0.000 0.898 261 Q HN 0.406 nan 8.270 nan 0.000 0.430 262 R N -0.311 120.177 120.500 -0.019 0.000 2.081 262 R HA -0.086 4.255 4.340 0.001 0.000 0.235 262 R C 2.305 178.588 176.300 -0.029 0.000 1.131 262 R CA 1.694 57.782 56.100 -0.020 0.000 0.960 262 R CB -0.305 29.990 30.300 -0.008 0.000 0.856 262 R HN 0.236 nan 8.270 nan 0.000 0.436 263 T N 1.584 116.125 114.554 -0.021 0.000 2.777 263 T HA -0.101 4.250 4.350 0.001 0.000 0.266 263 T C 1.726 176.372 174.700 -0.090 0.000 1.040 263 T CA 0.793 62.878 62.100 -0.026 0.000 1.141 263 T CB -0.195 68.660 68.868 -0.021 0.000 0.868 263 T HN 0.043 nan 8.240 nan 0.000 0.444 264 L N 1.396 122.570 121.223 -0.083 0.000 2.017 264 L HA -0.046 4.295 4.340 0.001 0.000 0.208 264 L C 2.260 179.079 176.870 -0.084 0.000 1.073 264 L CA 1.781 56.571 54.840 -0.084 0.000 0.745 264 L CB -0.497 41.529 42.059 -0.055 0.000 0.894 264 L HN 0.098 nan 8.230 nan 0.000 0.432 265 K N -0.976 119.381 120.400 -0.072 0.000 2.063 265 K HA -0.265 4.055 4.320 0.001 0.000 0.208 265 K C 2.100 178.628 176.600 -0.120 0.000 1.048 265 K CA 1.837 58.081 56.287 -0.073 0.000 0.928 265 K CB -0.291 32.175 32.500 -0.056 0.000 0.713 265 K HN 0.510 nan 8.250 nan 0.000 0.442 266 Q N 1.006 120.710 119.800 -0.160 0.000 2.061 266 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 266 Q C 2.021 177.669 176.000 -0.587 0.000 0.984 266 Q CA 1.377 57.003 55.803 -0.296 0.000 0.846 266 Q CB -0.037 28.549 28.738 -0.253 0.000 0.902 266 Q HN 0.353 nan 8.270 nan 0.000 0.421 267 I N 0.017 120.297 120.570 -0.484 0.000 3.111 267 I HA -0.108 4.062 4.170 0.001 0.000 0.272 267 I C 1.208 177.242 176.117 -0.138 0.000 1.268 267 I CA 0.438 61.442 61.300 -0.493 0.000 1.467 267 I CB 0.132 38.018 38.000 -0.191 0.000 1.087 267 I HN 0.130 nan 8.210 nan 0.000 0.467 268 R N 0.363 120.804 120.500 -0.099 0.000 2.359 268 R HA 0.179 4.520 4.340 0.001 0.000 0.231 268 R C 0.765 177.081 176.300 0.027 0.000 0.913 268 R CA -0.051 56.055 56.100 0.010 0.000 1.075 268 R CB 0.361 30.670 30.300 0.015 0.000 1.087 268 R HN 0.244 nan 8.270 nan 0.000 0.515 269 G N 1.140 109.926 108.800 -0.023 0.000 2.390 269 G HA2 0.068 4.029 3.960 0.001 0.000 0.270 269 G HA3 0.068 4.029 3.960 0.001 0.000 0.270 269 G C -0.503 174.418 174.900 0.035 0.000 1.211 269 G CA -0.546 44.539 45.100 -0.025 0.000 0.842 269 G HN 0.236 nan 8.290 nan 0.000 0.519 270 R N 1.207 121.624 120.500 -0.138 0.000 2.481 270 R HA 0.184 4.524 4.340 0.001 0.000 0.291 270 R C 1.445 177.768 176.300 0.038 0.000 0.934 270 R CA 1.500 57.501 56.100 -0.165 0.000 1.116 270 R CB -0.229 29.727 30.300 -0.573 0.000 0.895 270 R HN 1.399 nan 8.270 nan 0.000 0.410 271 G N 3.495 112.375 108.800 0.133 0.000 2.179 271 G HA2 -0.324 3.637 3.960 0.001 0.000 0.260 271 G HA3 -0.324 3.637 3.960 0.001 0.000 0.260 271 G C -0.070 174.901 174.900 0.118 0.000 0.977 271 G CA 0.184 45.352 45.100 0.113 0.000 0.641 271 G HN 0.617 nan 8.290 nan 0.000 0.533 272 F N 2.448 122.417 119.950 0.031 0.000 2.406 272 F HA 0.571 5.099 4.527 0.001 0.000 0.358 272 F C 1.070 176.890 175.800 0.034 0.000 1.161 272 F CA -0.486 57.528 58.000 0.023 0.000 1.185 272 F CB 0.026 39.045 39.000 0.031 0.000 1.421 272 F HN 0.211 nan 8.300 nan 0.000 0.576 273 c N 4.208 122.776 118.600 -0.053 0.000 2.768 273 c HA 0.264 4.834 4.570 0.001 0.000 0.411 273 c C 1.978 176.006 174.090 -0.103 0.000 1.793 273 c CA -0.810 55.506 56.329 -0.022 0.000 1.747 273 c CB 0.921 43.426 42.510 -0.009 0.000 2.128 273 c HN 0.926 nan 8.230 nan 0.000 0.472 274 L N 1.574 122.763 121.223 -0.056 0.000 2.013 274 L HA -0.095 4.246 4.340 0.001 0.000 0.212 274 L C -0.837 175.955 176.870 -0.130 0.000 1.073 274 L CA 2.264 57.079 54.840 -0.041 0.000 0.753 274 L CB -1.275 40.769 42.059 -0.024 0.000 0.890 274 L HN 0.519 nan 8.230 nan 0.000 0.432 275 P HA -0.186 nan 4.420 nan 0.000 0.216 275 P C 1.185 178.314 177.300 -0.284 0.000 1.150 275 P CA 1.351 64.345 63.100 -0.177 0.000 0.837 275 P CB 0.071 31.686 31.700 -0.143 0.000 0.786 276 Q N -1.003 118.524 119.800 -0.456 0.000 2.123 276 Q HA -0.061 4.279 4.340 0.001 0.000 0.199 276 Q C 2.154 177.765 176.000 -0.649 0.000 0.966 276 Q CA 0.950 56.286 55.803 -0.779 0.000 0.845 276 Q CB -1.463 26.342 28.738 -1.555 0.000 0.907 276 Q HN 0.053 nan 8.270 nan 0.000 0.439 277 V N -0.106 119.587 119.914 -0.368 0.000 2.252 277 V HA -0.288 3.832 4.120 0.001 0.000 0.249 277 V C 2.120 178.102 176.094 -0.186 0.000 1.056 277 V CA 1.743 64.041 62.300 -0.004 0.000 1.022 277 V CB -0.744 31.080 31.823 0.001 0.000 0.641 277 V HN 0.194 nan 8.190 nan 0.000 0.445 278 V N -0.360 119.372 119.914 -0.305 0.000 2.255 278 V HA -0.285 3.835 4.120 0.001 0.000 0.247 278 V C 2.245 178.188 176.094 -0.251 0.000 1.051 278 V CA 2.363 64.506 62.300 -0.262 0.000 1.018 278 V CB -0.510 31.261 31.823 -0.087 0.000 0.641 278 V HN 0.459 nan 8.190 nan 0.000 0.445 279 L N -0.687 120.388 121.223 -0.247 0.000 2.240 279 L HA -0.081 4.259 4.340 0.001 0.000 0.211 279 L C 2.408 179.117 176.870 -0.268 0.000 1.106 279 L CA 1.482 56.180 54.840 -0.237 0.000 0.793 279 L CB -0.644 41.291 42.059 -0.206 0.000 0.927 279 L HN 0.359 nan 8.230 nan 0.000 0.446 280 T N -1.957 112.378 114.554 -0.366 0.000 3.035 280 T HA -0.036 4.315 4.350 0.001 0.000 0.259 280 T C 0.580 174.955 174.700 -0.542 0.000 1.078 280 T CA 0.841 62.635 62.100 -0.510 0.000 1.132 280 T CB -0.022 68.426 68.868 -0.700 0.000 0.900 280 T HN 0.184 nan 8.240 nan 0.000 0.480 281 Y N 0.321 120.568 120.300 -0.089 0.000 2.720 281 Y HA 0.349 4.900 4.550 0.001 0.000 0.268 281 Y C -2.637 173.133 175.900 -0.217 0.000 1.142 281 Y CA -3.432 54.604 58.100 -0.107 0.000 1.193 281 Y CB -0.472 37.946 38.460 -0.070 0.000 1.176 281 Y HN 0.097 nan 8.280 nan 0.000 0.542 282 P HA 0.013 nan 4.420 nan 0.000 0.268 282 P C -0.206 176.816 177.300 -0.464 0.000 1.204 282 P CA 0.613 63.337 63.100 -0.626 0.000 0.768 282 P CB 0.224 31.411 31.700 -0.855 0.000 0.842 283 F N -1.831 118.095 119.950 -0.039 0.000 2.840 283 F HA -0.212 4.316 4.527 0.001 0.000 0.310 283 F C 0.502 176.304 175.800 0.004 0.000 0.688 283 F CA -0.157 57.828 58.000 -0.025 0.000 1.286 283 F CB -2.488 36.494 39.000 -0.030 0.000 1.612 283 F HN 0.202 nan 8.300 nan 0.000 0.335 284 L N 1.926 123.205 121.223 0.093 0.000 2.453 284 L HA 0.382 4.722 4.340 0.001 0.000 0.272 284 L C 0.451 177.353 176.870 0.052 0.000 1.182 284 L CA -0.000 54.891 54.840 0.086 0.000 0.858 284 L CB 0.482 42.584 42.059 0.073 0.000 1.120 284 L HN 0.191 nan 8.230 nan 0.000 0.474 285 N N 3.766 122.508 118.700 0.071 0.000 2.457 285 N HA 0.140 4.880 4.740 0.001 0.000 0.250 285 N C 0.627 176.171 175.510 0.058 0.000 0.982 285 N CA -0.371 52.727 53.050 0.081 0.000 0.941 285 N CB 1.293 39.865 38.487 0.141 0.000 1.120 285 N HN 0.541 nan 8.380 nan 0.000 0.505 286 V N 3.591 123.490 119.914 -0.025 0.000 2.594 286 V HA -0.192 3.928 4.120 0.001 0.000 0.253 286 V C 1.415 177.455 176.094 -0.089 0.000 1.069 286 V CA 1.339 63.592 62.300 -0.079 0.000 1.082 286 V CB -0.935 30.861 31.823 -0.045 0.000 0.680 286 V HN 0.561 nan 8.190 nan 0.000 0.469 287 F N 1.340 121.373 119.950 0.140 0.000 2.333 287 F HA -0.152 4.376 4.527 0.001 0.000 0.300 287 F C 2.675 178.512 175.800 0.062 0.000 1.083 287 F CA 1.336 59.398 58.000 0.105 0.000 1.395 287 F CB -0.940 38.127 39.000 0.113 0.000 1.056 287 F HN 0.309 nan 8.300 nan 0.000 0.529 288 S N -0.169 115.647 115.700 0.194 0.000 2.507 288 S HA -0.109 4.362 4.470 0.001 0.000 0.235 288 S C 1.719 176.366 174.600 0.079 0.000 0.988 288 S CA 0.800 59.072 58.200 0.120 0.000 0.944 288 S CB -0.764 62.492 63.200 0.094 0.000 0.762 288 S HN 0.478 nan 8.310 nan 0.000 0.526 289 L N 1.318 122.578 121.223 0.061 0.000 2.509 289 L HA 0.266 4.606 4.340 0.001 0.000 0.222 289 L C 0.836 177.723 176.870 0.028 0.000 1.123 289 L CA -0.035 54.820 54.840 0.024 0.000 0.856 289 L CB -0.155 41.896 42.059 -0.014 0.000 0.985 289 L HN 0.384 nan 8.230 nan 0.000 0.456 290 V N -3.457 116.495 119.914 0.064 0.000 3.158 290 V HA 0.435 4.556 4.120 0.001 0.000 0.315 290 V C -0.046 176.085 176.094 0.062 0.000 1.148 290 V CA -0.788 61.546 62.300 0.056 0.000 1.042 290 V CB 1.663 33.531 31.823 0.075 0.000 1.101 290 V HN 0.264 nan 8.190 nan 0.000 0.448 291 N N -0.739 117.981 118.700 0.033 0.000 2.328 291 N HA 0.304 5.045 4.740 0.001 0.000 0.247 291 N C -0.702 174.824 175.510 0.028 0.000 1.165 291 N CA -0.126 52.938 53.050 0.024 0.000 0.873 291 N CB 0.268 38.754 38.487 -0.002 0.000 1.125 291 N HN 0.786 nan 8.380 nan 0.000 0.513 292 D N -0.088 120.350 120.400 0.064 0.000 2.365 292 D HA 0.086 4.727 4.640 0.001 0.000 0.235 292 D C 0.653 177.022 176.300 0.116 0.000 1.368 292 D CA -0.232 53.809 54.000 0.069 0.000 1.001 292 D CB 1.176 42.014 40.800 0.062 0.000 1.364 292 D HN 0.140 nan 8.370 nan 0.000 0.577 293 T N 0.650 115.216 114.554 0.020 0.000 3.035 293 T HA -0.086 4.265 4.350 0.001 0.000 0.268 293 T C 1.186 175.752 174.700 -0.222 0.000 1.109 293 T CA 0.502 62.508 62.100 -0.158 0.000 1.119 293 T CB 0.013 68.752 68.868 -0.215 0.000 0.900 293 T HN 0.144 nan 8.240 nan 0.000 0.503 294 N N 0.214 118.892 118.700 -0.037 0.000 2.346 294 N HA 0.209 4.950 4.740 0.001 0.000 0.225 294 N C 1.010 176.581 175.510 0.102 0.000 1.144 294 N CA -0.249 52.802 53.050 0.002 0.000 0.837 294 N CB -0.481 38.013 38.487 0.012 0.000 1.069 294 N HN 0.176 nan 8.380 nan 0.000 0.487 295 L N 0.068 121.415 121.223 0.207 0.000 2.046 295 L HA -0.036 4.305 4.340 0.001 0.000 0.208 295 L C 1.620 178.578 176.870 0.148 0.000 1.077 295 L CA 1.090 56.082 54.840 0.254 0.000 0.747 295 L CB -0.633 41.616 42.059 0.317 0.000 0.896 295 L HN 0.254 nan 8.230 nan 0.000 0.432 296 L N -0.351 120.972 121.223 0.166 0.000 2.263 296 L HA -0.214 4.127 4.340 0.001 0.000 0.216 296 L C 1.937 178.823 176.870 0.026 0.000 1.111 296 L CA 1.484 56.367 54.840 0.073 0.000 0.773 296 L CB -0.977 41.170 42.059 0.147 0.000 0.906 296 L HN 0.418 nan 8.230 nan 0.000 0.439 297 N N -1.121 117.600 118.700 0.034 0.000 2.254 297 N HA 0.057 4.798 4.740 0.001 0.000 0.190 297 N C 0.247 175.746 175.510 -0.018 0.000 1.107 297 N CA 0.089 53.144 53.050 0.008 0.000 0.869 297 N CB 0.652 39.150 38.487 0.017 0.000 0.983 297 N HN 0.482 nan 8.380 nan 0.000 0.487 298 E N 0.420 120.602 120.200 -0.031 0.000 2.280 298 E HA 0.542 4.893 4.350 0.001 0.000 0.264 298 E C -0.380 176.074 176.600 -0.243 0.000 1.064 298 E CA -0.664 55.681 56.400 -0.093 0.000 0.900 298 E CB 1.451 31.142 29.700 -0.014 0.000 1.123 298 E HN 0.048 nan 8.360 nan 0.000 0.418 299 A N 2.237 124.883 122.820 -0.289 0.000 2.340 299 A HA 0.268 4.589 4.320 0.001 0.000 0.268 299 A C -1.716 175.417 177.584 -0.752 0.000 1.100 299 A CA -1.118 50.702 52.037 -0.362 0.000 0.803 299 A CB 0.109 18.988 19.000 -0.202 0.000 1.043 299 A HN 0.476 nan 8.150 nan 0.000 0.488 300 P HA 0.120 nan 4.420 nan 0.000 0.257 300 P C 1.060 178.188 177.300 -0.287 0.000 1.281 300 P CA 0.200 63.106 63.100 -0.323 0.000 0.826 300 P CB 0.129 31.702 31.700 -0.212 0.000 1.237 301 I N 0.792 121.155 120.570 -0.345 0.000 2.142 301 I HA -0.244 3.927 4.170 0.001 0.000 0.240 301 I C 2.562 178.574 176.117 -0.174 0.000 1.078 301 I CA 1.582 62.741 61.300 -0.235 0.000 1.343 301 I CB -0.899 36.988 38.000 -0.189 0.000 1.046 301 I HN -0.051 nan 8.210 nan 0.000 0.405 302 A N 0.883 123.616 122.820 -0.146 0.000 1.917 302 A HA -0.278 4.042 4.320 0.001 0.000 0.219 302 A C 2.484 180.025 177.584 -0.072 0.000 1.182 302 A CA 2.686 54.671 52.037 -0.087 0.000 0.633 302 A CB -0.963 17.997 19.000 -0.066 0.000 0.819 302 A HN 0.567 nan 8.150 nan 0.000 0.448 303 S N -0.461 115.186 115.700 -0.088 0.000 2.436 303 S HA -0.014 4.456 4.470 0.001 0.000 0.228 303 S C 1.832 176.392 174.600 -0.067 0.000 1.014 303 S CA 1.106 59.271 58.200 -0.058 0.000 0.950 303 S CB -0.658 62.505 63.200 -0.062 0.000 0.784 303 S HN 0.454 nan 8.310 nan 0.000 0.504 304 I N 1.083 121.569 120.570 -0.140 0.000 2.226 304 I HA -0.122 4.049 4.170 0.001 0.000 0.245 304 I C 2.143 178.187 176.117 -0.122 0.000 1.100 304 I CA 0.764 61.932 61.300 -0.221 0.000 1.374 304 I CB -0.360 37.366 38.000 -0.456 0.000 1.057 304 I HN 0.259 nan 8.210 nan 0.000 0.413 305 L N 0.759 121.926 121.223 -0.094 0.000 2.127 305 L HA -0.226 4.115 4.340 0.001 0.000 0.211 305 L C 2.274 179.180 176.870 0.060 0.000 1.089 305 L CA 1.805 56.631 54.840 -0.024 0.000 0.757 305 L CB -1.083 40.956 42.059 -0.035 0.000 0.899 305 L HN 0.244 nan 8.230 nan 0.000 0.434 306 K N -1.061 119.379 120.400 0.067 0.000 2.296 306 K HA -0.093 4.227 4.320 0.001 0.000 0.200 306 K C 1.913 178.674 176.600 0.269 0.000 1.048 306 K CA 0.642 57.007 56.287 0.130 0.000 0.966 306 K CB 0.071 32.625 32.500 0.089 0.000 0.754 306 K HN 0.492 nan 8.250 nan 0.000 0.466 307 Q N 0.307 120.260 119.800 0.255 0.000 2.339 307 Q HA 0.010 4.350 4.340 0.001 0.000 0.205 307 Q C 0.363 176.684 176.000 0.534 0.000 0.925 307 Q CA 0.500 56.532 55.803 0.382 0.000 0.898 307 Q CB 0.486 29.323 28.738 0.166 0.000 1.013 307 Q HN 0.134 nan 8.270 nan 0.000 0.504 308 E N 1.430 121.835 120.200 0.341 0.000 2.354 308 E HA 0.109 4.460 4.350 0.001 0.000 0.260 308 E C -0.521 176.326 176.600 0.410 0.000 1.405 308 E CA 0.183 56.768 56.400 0.308 0.000 1.728 308 E CB 0.470 30.226 29.700 0.093 0.000 1.471 308 E HN -0.002 nan 8.360 nan 0.000 0.441 309 T N -1.234 113.644 114.554 0.539 0.000 2.932 309 T HA 0.244 4.595 4.350 0.001 0.000 0.318 309 T C 0.342 175.132 174.700 0.149 0.000 1.265 309 T CA -0.617 61.666 62.100 0.304 0.000 1.036 309 T CB 1.482 70.447 68.868 0.163 0.000 1.209 309 T HN -0.022 nan 8.240 nan 0.000 0.484 310 V N 1.714 121.547 119.914 -0.135 0.000 3.427 310 V HA 0.514 4.634 4.120 0.001 0.000 0.305 310 V C 0.273 176.310 176.094 -0.095 0.000 1.412 310 V CA -0.174 61.944 62.300 -0.303 0.000 1.086 310 V CB 0.293 31.694 31.823 -0.705 0.000 0.964 310 V HN 0.547 nan 8.190 nan 0.000 0.439 311 V N 2.068 121.945 119.914 -0.063 0.000 2.389 311 V HA 0.210 4.331 4.120 0.001 0.000 0.264 311 V C 1.493 177.537 176.094 -0.084 0.000 1.049 311 V CA 0.299 62.582 62.300 -0.027 0.000 0.932 311 V CB 0.970 32.775 31.823 -0.031 0.000 1.011 311 V HN 0.547 nan 8.190 nan 0.000 0.475 312 Q N 5.712 125.444 119.800 -0.113 0.000 2.167 312 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 312 Q C 2.112 178.039 176.000 -0.121 0.000 0.970 312 Q CA 2.085 57.789 55.803 -0.165 0.000 0.855 312 Q CB -0.223 28.413 28.738 -0.170 0.000 0.911 312 Q HN 0.880 nan 8.270 nan 0.000 0.438 313 A N 0.218 122.985 122.820 -0.089 0.000 2.024 313 A HA -0.216 4.104 4.320 0.001 0.000 0.220 313 A C 1.968 179.524 177.584 -0.046 0.000 1.164 313 A CA 1.769 53.767 52.037 -0.064 0.000 0.643 313 A CB -0.508 18.459 19.000 -0.055 0.000 0.806 313 A HN 0.589 nan 8.150 nan 0.000 0.451 314 E N -0.706 119.468 120.200 -0.042 0.000 2.307 314 E HA 0.306 4.657 4.350 0.001 0.000 0.195 314 E C 0.804 177.400 176.600 -0.007 0.000 0.975 314 E CA 0.338 56.730 56.400 -0.013 0.000 0.878 314 E CB 0.064 29.767 29.700 0.005 0.000 0.845 314 E HN 0.524 nan 8.360 nan 0.000 0.488 315 A N 1.141 123.927 122.820 -0.057 0.000 2.440 315 A HA 0.109 4.430 4.320 0.001 0.000 0.251 315 A C 0.832 178.396 177.584 -0.032 0.000 1.089 315 A CA 0.349 52.343 52.037 -0.072 0.000 0.779 315 A CB 0.496 19.252 19.000 -0.407 0.000 1.022 315 A HN 0.262 nan 8.150 nan 0.000 0.492 316 S N 0.929 116.702 115.700 0.122 0.000 2.660 316 S HA 0.375 4.845 4.470 0.001 0.000 0.227 316 S C -0.088 174.636 174.600 0.207 0.000 0.948 316 S CA 0.222 58.501 58.200 0.132 0.000 0.948 316 S CB -1.006 62.278 63.200 0.139 0.000 0.779 316 S HN 1.101 nan 8.310 nan 0.000 0.487 317 Y N -2.517 117.813 120.300 0.049 0.000 2.638 317 Y HA 0.677 5.228 4.550 0.002 0.000 0.335 317 Y C -0.837 175.085 175.900 0.037 0.000 1.155 317 Y CA -1.357 56.776 58.100 0.053 0.000 1.046 317 Y CB 0.461 38.979 38.460 0.097 0.000 1.303 317 Y HN -0.167 nan 8.280 nan 0.000 0.460 318 T N 2.993 117.534 114.554 -0.022 0.000 2.727 318 T HA 0.380 4.731 4.350 0.001 0.000 0.295 318 T C -0.264 174.350 174.700 -0.143 0.000 0.915 318 T CA -0.417 61.615 62.100 -0.113 0.000 1.066 318 T CB 0.190 69.054 68.868 -0.007 0.000 0.891 318 T HN 0.536 nan 8.240 nan 0.000 0.516 319 V N 4.036 123.754 119.914 -0.328 0.000 2.530 319 V HA 0.206 4.326 4.120 0.001 0.000 0.282 319 V C 1.000 177.044 176.094 -0.083 0.000 1.048 319 V CA -0.557 61.602 62.300 -0.235 0.000 0.997 319 V CB 1.444 33.079 31.823 -0.315 0.000 0.987 319 V HN 0.958 nan 8.190 nan 0.000 0.477 320 S N 3.795 119.490 115.700 -0.009 0.000 2.566 320 S HA 0.201 4.672 4.470 0.001 0.000 0.280 320 S C -0.217 174.336 174.600 -0.079 0.000 1.343 320 S CA -0.338 57.849 58.200 -0.021 0.000 1.036 320 S CB 0.617 63.824 63.200 0.011 0.000 0.866 320 S HN 0.558 nan 8.310 nan 0.000 0.526 321 V N 6.953 126.809 119.914 -0.098 0.000 2.320 321 V HA 0.329 4.449 4.120 0.001 0.000 0.268 321 V C -2.334 173.650 176.094 -0.182 0.000 1.021 321 V CA -1.675 60.531 62.300 -0.158 0.000 0.813 321 V CB 0.679 32.401 31.823 -0.168 0.000 1.054 321 V HN 0.736 nan 8.190 nan 0.000 0.444 322 P HA 0.125 nan 4.420 nan 0.000 0.264 322 P C 0.472 177.463 177.300 -0.515 0.000 1.183 322 P CA 0.104 62.938 63.100 -0.442 0.000 0.763 322 P CB 0.838 32.108 31.700 -0.717 0.000 0.807 323 K N 2.196 122.344 120.400 -0.419 0.000 2.354 323 K HA 0.131 4.452 4.320 0.001 0.000 0.194 323 K C 0.841 177.345 176.600 -0.161 0.000 1.045 323 K CA 0.212 56.365 56.287 -0.223 0.000 1.026 323 K CB -0.323 32.130 32.500 -0.080 0.000 0.866 323 K HN 0.503 nan 8.250 nan 0.000 0.530 324 F N 2.527 122.493 119.950 0.027 0.000 2.539 324 F HA 0.273 4.800 4.527 0.001 0.000 0.340 324 F C -2.237 173.613 175.800 0.084 0.000 1.185 324 F CA -3.087 54.937 58.000 0.040 0.000 1.333 324 F CB -1.141 37.877 39.000 0.030 0.000 1.152 324 F HN -0.219 nan 8.300 nan 0.000 0.602 325 P HA 0.209 nan 4.420 nan 0.000 0.265 325 P C -1.042 176.634 177.300 0.627 0.000 1.193 325 P CA 0.128 63.475 63.100 0.412 0.000 0.765 325 P CB 0.492 32.391 31.700 0.333 0.000 0.823 326 R N 1.865 122.618 120.500 0.420 0.000 2.686 326 R HA 0.625 4.966 4.340 0.001 0.000 0.283 326 R C -1.240 174.872 176.300 -0.313 0.000 0.978 326 R CA -0.641 55.558 56.100 0.165 0.000 0.897 326 R CB 1.534 31.868 30.300 0.058 0.000 1.192 326 R HN 0.373 nan 8.270 nan 0.000 0.457 327 F N 3.793 123.255 119.950 -0.814 0.000 2.467 327 F HA 0.624 5.151 4.527 0.001 0.000 0.336 327 F C -1.165 174.514 175.800 -0.201 0.000 1.123 327 F CA -0.817 56.770 58.000 -0.688 0.000 0.964 327 F CB 0.909 39.273 39.000 -1.060 0.000 1.136 327 F HN 0.325 nan 8.300 nan 0.000 0.447 328 I N 6.663 126.854 120.570 -0.630 0.000 2.478 328 I HA 0.312 4.483 4.170 0.001 0.000 0.287 328 I C -1.485 174.476 176.117 -0.260 0.000 1.042 328 I CA -0.662 60.390 61.300 -0.413 0.000 1.067 328 I CB 1.359 39.191 38.000 -0.280 0.000 1.233 328 I HN 0.780 nan 8.210 nan 0.000 0.431 329 W N 6.408 127.490 121.300 -0.364 0.000 2.719 329 W HA 0.762 5.422 4.660 0.001 0.000 0.352 329 W C -1.266 175.368 176.519 0.192 0.000 1.085 329 W CA -0.584 56.685 57.345 -0.127 0.000 1.187 329 W CB 1.014 30.474 29.460 -0.001 0.000 1.417 329 W HN 0.403 nan 8.180 nan 0.000 0.557 330 H N 1.194 120.435 119.070 0.285 0.000 3.123 330 H HA 0.378 4.935 4.556 0.001 0.000 0.346 330 H C -0.991 174.544 175.328 0.344 0.000 1.138 330 H CA -0.351 55.851 56.048 0.257 0.000 1.273 330 H CB 2.063 32.028 29.762 0.338 0.000 1.926 330 H HN 0.914 nan 8.280 nan 0.000 0.524 331 A N 5.025 128.094 122.820 0.415 0.000 2.491 331 A HA 0.156 4.476 4.320 0.001 0.000 0.261 331 A C 1.474 179.196 177.584 0.231 0.000 1.101 331 A CA -0.119 52.122 52.037 0.340 0.000 0.772 331 A CB -0.370 18.772 19.000 0.237 0.000 1.043 331 A HN 0.703 nan 8.150 nan 0.000 0.501 332 I N 3.207 123.702 120.570 -0.125 0.000 2.194 332 I HA -0.153 4.017 4.170 0.001 0.000 0.246 332 I C -0.728 175.338 176.117 -0.084 0.000 1.093 332 I CA 1.375 62.361 61.300 -0.523 0.000 1.355 332 I CB -0.614 36.998 38.000 -0.646 0.000 1.046 332 I HN 0.479 nan 8.210 nan 0.000 0.413 333 P HA 0.035 nan 4.420 nan 0.000 0.249 333 P C -0.347 177.072 177.300 0.198 0.000 1.544 333 P CA 0.028 63.202 63.100 0.124 0.000 0.932 333 P CB -0.408 31.354 31.700 0.104 0.000 1.524 334 D N 2.102 122.651 120.400 0.248 0.000 2.520 334 D HA -0.102 4.538 4.640 0.001 0.000 0.243 334 D C 1.131 177.645 176.300 0.358 0.000 1.160 334 D CA 0.575 54.748 54.000 0.288 0.000 0.877 334 D CB 0.800 41.827 40.800 0.377 0.000 1.150 334 D HN 0.263 nan 8.370 nan 0.000 0.494 335 E N 4.569 124.952 120.200 0.306 0.000 2.481 335 E HA 0.021 4.372 4.350 0.001 0.000 0.198 335 E C 0.990 177.793 176.600 0.339 0.000 1.027 335 E CA 0.196 56.798 56.400 0.338 0.000 0.900 335 E CB 0.149 29.977 29.700 0.214 0.000 0.993 335 E HN 0.584 nan 8.360 nan 0.000 0.482 336 I N -0.174 120.514 120.570 0.197 0.000 3.873 336 I HA 0.129 4.299 4.170 0.001 0.000 0.284 336 I C 0.180 176.304 176.117 0.013 0.000 1.186 336 I CA 0.060 61.318 61.300 -0.070 0.000 1.362 336 I CB 1.206 38.710 38.000 -0.827 0.000 1.432 336 I HN -0.188 nan 8.210 nan 0.000 0.454 337 V N 4.417 124.252 119.914 -0.132 0.000 2.409 337 V HA 0.350 4.471 4.120 0.001 0.000 0.291 337 V C -2.440 173.494 176.094 -0.266 0.000 1.020 337 V CA -1.691 60.516 62.300 -0.154 0.000 0.848 337 V CB 1.519 33.288 31.823 -0.090 0.000 0.990 337 V HN 0.005 nan 8.190 nan 0.000 0.430 338 P HA 0.048 nan 4.420 nan 0.000 0.271 338 P C 0.064 177.087 177.300 -0.461 0.000 1.216 338 P CA 0.024 62.533 63.100 -0.985 0.000 0.771 338 P CB 0.972 31.990 31.700 -1.135 0.000 0.864 339 Y N 3.858 123.889 120.300 -0.448 0.000 2.114 339 Y HA -0.260 4.291 4.550 0.001 0.000 0.284 339 Y C 2.306 177.992 175.900 -0.356 0.000 1.143 339 Y CA 1.950 59.714 58.100 -0.559 0.000 1.135 339 Y CB -0.542 37.791 38.460 -0.212 0.000 0.980 339 Y HN 0.249 nan 8.280 nan 0.000 0.499 340 Q N -0.043 119.525 119.800 -0.387 0.000 2.096 340 Q HA -0.142 4.199 4.340 0.001 0.000 0.204 340 Q C -0.192 175.606 176.000 -0.337 0.000 0.982 340 Q CA 2.095 57.688 55.803 -0.350 0.000 0.850 340 Q CB -1.958 26.730 28.738 -0.084 0.000 0.901 340 Q HN 0.439 nan 8.270 nan 0.000 0.422 341 P HA -0.138 nan 4.420 nan 0.000 0.216 341 P C 1.048 178.205 177.300 -0.239 0.000 1.153 341 P CA 2.072 65.047 63.100 -0.208 0.000 0.858 341 P CB -0.142 31.458 31.700 -0.167 0.000 0.789 342 A N -0.166 122.443 122.820 -0.353 0.000 1.898 342 A HA -0.048 4.273 4.320 0.001 0.000 0.216 342 A C 2.317 179.683 177.584 -0.363 0.000 1.181 342 A CA 1.858 53.714 52.037 -0.302 0.000 0.620 342 A CB -1.594 17.222 19.000 -0.308 0.000 0.819 342 A HN 0.173 nan 8.150 nan 0.000 0.442 343 A N -0.781 121.718 122.820 -0.535 0.000 1.908 343 A HA -0.126 4.195 4.320 0.001 0.000 0.218 343 A C 2.298 179.684 177.584 -0.331 0.000 1.181 343 A CA 2.413 54.195 52.037 -0.424 0.000 0.627 343 A CB -1.333 17.410 19.000 -0.429 0.000 0.818 343 A HN 0.432 nan 8.150 nan 0.000 0.445 344 T N -1.595 112.805 114.554 -0.256 0.000 2.708 344 T HA -0.189 4.162 4.350 0.001 0.000 0.266 344 T C 1.781 176.372 174.700 -0.182 0.000 1.037 344 T CA 1.705 63.696 62.100 -0.181 0.000 1.146 344 T CB -0.468 68.321 68.868 -0.131 0.000 0.865 344 T HN 0.595 nan 8.240 nan 0.000 0.435 345 Y N 1.916 122.044 120.300 -0.286 0.000 2.128 345 Y HA -0.199 4.352 4.550 0.001 0.000 0.284 345 Y C 2.295 177.994 175.900 -0.335 0.000 1.154 345 Y CA 1.003 58.932 58.100 -0.285 0.000 1.149 345 Y CB -0.697 37.601 38.460 -0.269 0.000 0.976 345 Y HN -0.024 nan 8.280 nan 0.000 0.505 346 V N 1.094 120.707 119.914 -0.501 0.000 2.295 346 V HA -0.332 3.789 4.120 0.001 0.000 0.246 346 V C 2.457 178.243 176.094 -0.514 0.000 1.049 346 V CA 2.382 64.277 62.300 -0.675 0.000 1.024 346 V CB -0.792 30.362 31.823 -1.116 0.000 0.648 346 V HN 0.412 nan 8.190 nan 0.000 0.447 347 K N 0.104 120.267 120.400 -0.395 0.000 2.063 347 K HA -0.246 4.074 4.320 0.001 0.000 0.208 347 K C 2.104 178.552 176.600 -0.253 0.000 1.048 347 K CA 2.036 58.167 56.287 -0.260 0.000 0.928 347 K CB -0.162 32.231 32.500 -0.177 0.000 0.713 347 K HN 0.574 nan 8.250 nan 0.000 0.442 348 E N -0.003 120.025 120.200 -0.287 0.000 2.051 348 E HA -0.194 4.157 4.350 0.001 0.000 0.192 348 E C 2.349 178.759 176.600 -0.317 0.000 0.991 348 E CA 1.136 57.374 56.400 -0.268 0.000 0.799 348 E CB 0.069 29.609 29.700 -0.267 0.000 0.748 348 E HN 0.353 nan 8.360 nan 0.000 0.449 349 Q N 0.042 119.561 119.800 -0.468 0.000 2.046 349 Q HA -0.140 4.200 4.340 0.001 0.000 0.200 349 Q C 2.495 178.305 176.000 -0.317 0.000 0.975 349 Q CA 1.002 56.526 55.803 -0.466 0.000 0.836 349 Q CB -0.581 27.736 28.738 -0.700 0.000 0.896 349 Q HN 0.389 nan 8.270 nan 0.000 0.428 350 c N 0.670 119.092 118.600 -0.298 0.000 2.403 350 c HA -0.128 4.443 4.570 0.001 0.000 0.279 350 c C 2.681 176.679 174.090 -0.154 0.000 1.269 350 c CA 0.837 57.045 56.329 -0.203 0.000 1.774 350 c CB -1.167 41.234 42.510 -0.183 0.000 1.993 350 c HN 0.553 nan 8.230 nan 0.000 0.496 351 A N -0.373 122.352 122.820 -0.159 0.000 2.167 351 A HA -0.030 4.291 4.320 0.001 0.000 0.214 351 A C 1.759 179.274 177.584 -0.115 0.000 1.151 351 A CA 0.928 52.892 52.037 -0.121 0.000 0.735 351 A CB -0.225 18.705 19.000 -0.115 0.000 0.802 351 A HN 0.708 nan 8.150 nan 0.000 0.467 352 K N -0.993 119.323 120.400 -0.139 0.000 2.498 352 K HA 0.312 4.633 4.320 0.001 0.000 0.207 352 K C 0.690 177.222 176.600 -0.114 0.000 1.033 352 K CA 0.420 56.633 56.287 -0.122 0.000 1.138 352 K CB 0.403 32.823 32.500 -0.134 0.000 0.860 352 K HN 0.546 nan 8.250 nan 0.000 0.490 353 G N 1.282 110.016 108.800 -0.110 0.000 2.144 353 G HA2 -0.262 3.699 3.960 0.001 0.000 0.218 353 G HA3 -0.262 3.699 3.960 0.001 0.000 0.218 353 G C 0.334 175.170 174.900 -0.108 0.000 0.988 353 G CA -0.020 45.025 45.100 -0.092 0.000 0.659 353 G HN 0.476 nan 8.290 nan 0.000 0.522 354 A N -0.204 122.528 122.820 -0.148 0.000 2.366 354 A HA 0.591 4.911 4.320 0.001 0.000 0.250 354 A C 0.647 178.161 177.584 -0.117 0.000 1.099 354 A CA 0.724 52.660 52.037 -0.170 0.000 0.794 354 A CB 0.343 19.198 19.000 -0.241 0.000 1.056 354 A HN 0.961 nan 8.150 nan 0.000 0.499 355 N N 0.286 118.926 118.700 -0.100 0.000 2.841 355 N HA 0.362 5.103 4.740 0.001 0.000 0.257 355 N C -1.512 174.000 175.510 0.003 0.000 1.396 355 N CA -0.168 52.869 53.050 -0.022 0.000 0.823 355 N CB -0.131 38.370 38.487 0.024 0.000 1.162 355 N HN 0.471 nan 8.380 nan 0.000 0.503 356 I N 1.415 121.964 120.570 -0.034 0.000 2.355 356 I HA 0.252 4.422 4.170 0.001 0.000 0.288 356 I C 0.149 176.282 176.117 0.027 0.000 0.999 356 I CA -0.953 60.322 61.300 -0.043 0.000 1.163 356 I CB 1.121 39.032 38.000 -0.148 0.000 1.316 356 I HN 0.281 nan 8.210 nan 0.000 0.454 357 N N 6.953 125.692 118.700 0.065 0.000 2.406 357 N HA 0.122 4.863 4.740 0.001 0.000 0.251 357 N C -1.248 174.331 175.510 0.114 0.000 1.069 357 N CA -0.067 53.070 53.050 0.145 0.000 0.947 357 N CB 0.477 39.119 38.487 0.258 0.000 1.111 357 N HN 0.278 nan 8.380 nan 0.000 0.497 358 F N 3.081 122.986 119.950 -0.074 0.000 2.415 358 F HA 0.383 4.911 4.527 0.001 0.000 0.348 358 F C 0.193 175.924 175.800 -0.116 0.000 1.119 358 F CA -1.321 56.596 58.000 -0.139 0.000 1.069 358 F CB 1.055 40.003 39.000 -0.087 0.000 1.124 358 F HN 0.382 nan 8.300 nan 0.000 0.472 359 S N 8.356 123.838 115.700 -0.364 0.000 2.269 359 S HA 0.488 4.958 4.470 0.001 0.000 0.194 359 S C -3.005 171.213 174.600 -0.636 0.000 1.547 359 S CA -1.526 56.395 58.200 -0.466 0.000 1.186 359 S CB -0.018 63.036 63.200 -0.243 0.000 1.069 359 S HN 0.374 nan 8.310 nan 0.000 0.473 360 P HA 0.260 nan 4.420 nan 0.000 0.287 360 P C -1.271 175.760 177.300 -0.449 0.000 1.281 360 P CA -0.363 62.426 63.100 -0.519 0.000 0.781 360 P CB 0.102 31.476 31.700 -0.542 0.000 0.903 361 Y N 5.568 125.845 120.300 -0.038 0.000 2.383 361 Y HA 0.187 4.737 4.550 0.001 0.000 0.344 361 Y C -0.838 175.037 175.900 -0.042 0.000 0.986 361 Y CA -1.894 56.218 58.100 0.020 0.000 1.175 361 Y CB 0.674 39.256 38.460 0.203 0.000 1.152 361 Y HN 0.397 nan 8.280 nan 0.000 0.511 362 P HA -0.077 nan 4.420 nan 0.000 0.221 362 P C 0.057 177.388 177.300 0.051 0.000 1.150 362 P CA 1.407 64.500 63.100 -0.011 0.000 0.800 362 P CB 0.896 32.576 31.700 -0.033 0.000 0.787 363 I N 0.011 120.651 120.570 0.115 0.000 2.464 363 I HA 0.627 4.798 4.170 0.001 0.000 0.277 363 I C 0.037 176.290 176.117 0.228 0.000 1.040 363 I CA -0.994 60.382 61.300 0.127 0.000 1.153 363 I CB 0.586 38.639 38.000 0.088 0.000 1.274 363 I HN -0.075 nan 8.210 nan 0.000 0.469 364 A N 5.284 128.235 122.820 0.217 0.000 2.544 364 A HA 0.796 5.117 4.320 0.001 0.000 0.291 364 A C -1.098 176.572 177.584 0.144 0.000 1.055 364 A CA -0.660 51.523 52.037 0.244 0.000 0.651 364 A CB 1.898 21.105 19.000 0.347 0.000 1.296 364 A HN 0.529 nan 8.150 nan 0.000 0.431 365 E N -1.266 118.979 120.200 0.075 0.000 2.447 365 E HA 0.398 4.749 4.350 0.001 0.000 0.258 365 E C 0.294 176.922 176.600 0.047 0.000 0.916 365 E CA -0.779 55.672 56.400 0.083 0.000 0.846 365 E CB 0.991 30.732 29.700 0.068 0.000 1.517 365 E HN 0.804 nan 8.360 nan 0.000 0.418 366 H N 0.204 119.240 119.070 -0.056 0.000 2.321 366 H HA -0.064 4.492 4.556 0.001 0.000 0.300 366 H C 1.748 177.000 175.328 -0.126 0.000 1.087 366 H CA 2.001 57.983 56.048 -0.110 0.000 1.319 366 H CB 0.060 29.659 29.762 -0.271 0.000 1.379 366 H HN 0.302 nan 8.280 nan 0.000 0.501 367 L N -0.418 120.720 121.223 -0.142 0.000 2.179 367 L HA -0.066 4.275 4.340 0.001 0.000 0.208 367 L C 2.694 179.432 176.870 -0.219 0.000 1.096 367 L CA 1.456 56.173 54.840 -0.205 0.000 0.779 367 L CB -0.417 41.501 42.059 -0.235 0.000 0.922 367 L HN 0.487 nan 8.230 nan 0.000 0.443 368 T N -3.077 111.293 114.554 -0.306 0.000 2.857 368 T HA -0.037 4.313 4.350 0.001 0.000 0.266 368 T C 1.956 175.991 174.700 -1.108 0.000 1.048 368 T CA 0.765 62.473 62.100 -0.652 0.000 1.139 368 T CB -0.383 68.129 68.868 -0.593 0.000 0.874 368 T HN 0.227 nan 8.240 nan 0.000 0.455 369 A N 1.560 124.006 122.820 -0.623 0.000 2.067 369 A HA -0.023 4.298 4.320 0.001 0.000 0.219 369 A C 2.259 179.777 177.584 -0.110 0.000 1.158 369 A CA 1.628 53.478 52.037 -0.313 0.000 0.661 369 A CB -0.828 18.246 19.000 0.123 0.000 0.801 369 A HN 0.709 nan 8.150 nan 0.000 0.452 370 E N -0.092 119.853 120.200 -0.425 0.000 2.085 370 E HA -0.201 4.150 4.350 0.001 0.000 0.194 370 E C 1.674 178.092 176.600 -0.304 0.000 0.994 370 E CA 1.626 57.583 56.400 -0.739 0.000 0.801 370 E CB -0.103 29.133 29.700 -0.773 0.000 0.743 370 E HN 0.545 nan 8.360 nan 0.000 0.453 371 I N 0.185 120.566 120.570 -0.314 0.000 2.277 371 I HA -0.154 4.016 4.170 0.001 0.000 0.243 371 I C 2.080 178.095 176.117 -0.170 0.000 1.094 371 I CA 0.822 61.970 61.300 -0.253 0.000 1.393 371 I CB -1.361 36.503 38.000 -0.228 0.000 1.078 371 I HN 0.133 nan 8.210 nan 0.000 0.417 372 F N 1.846 121.611 119.950 -0.309 0.000 2.120 372 F HA -0.118 4.409 4.527 0.001 0.000 0.300 372 F C 2.604 178.158 175.800 -0.411 0.000 1.095 372 F CA 1.207 58.938 58.000 -0.447 0.000 1.249 372 F CB -1.773 36.666 39.000 -0.935 0.000 0.995 372 F HN 0.108 nan 8.300 nan 0.000 0.480 373 G N -0.943 107.645 108.800 -0.353 0.000 2.985 373 G HA2 0.005 3.965 3.960 0.001 0.000 0.209 373 G HA3 0.005 3.965 3.960 0.001 0.000 0.209 373 G C 1.728 176.101 174.900 -0.879 0.000 1.165 373 G CA 0.095 44.688 45.100 -0.845 0.000 0.776 373 G HN 0.378 nan 8.290 nan 0.000 0.541 374 L N 0.150 121.095 121.223 -0.463 0.000 2.005 374 L HA -0.022 4.319 4.340 0.001 0.000 0.207 374 L C 2.821 179.511 176.870 -0.301 0.000 1.072 374 L CA 1.060 55.709 54.840 -0.317 0.000 0.744 374 L CB -0.161 41.790 42.059 -0.180 0.000 0.895 374 L HN 0.084 nan 8.230 nan 0.000 0.433 375 V N 0.454 120.217 119.914 -0.253 0.000 2.295 375 V HA -0.159 3.962 4.120 0.001 0.000 0.246 375 V C -0.197 175.770 176.094 -0.212 0.000 1.049 375 V CA 1.995 64.156 62.300 -0.232 0.000 1.024 375 V CB -1.839 29.877 31.823 -0.180 0.000 0.648 375 V HN 0.369 nan 8.190 nan 0.000 0.447 376 P HA -0.195 nan 4.420 nan 0.000 0.216 376 P C 2.136 179.112 177.300 -0.541 0.000 1.153 376 P CA 2.195 65.083 63.100 -0.353 0.000 0.858 376 P CB -0.116 31.354 31.700 -0.383 0.000 0.789 377 S N -1.034 114.363 115.700 -0.506 0.000 2.353 377 S HA -0.160 4.311 4.470 0.001 0.000 0.222 377 S C 1.813 176.410 174.600 -0.004 0.000 1.035 377 S CA 1.324 59.401 58.200 -0.205 0.000 1.025 377 S CB -1.032 62.088 63.200 -0.133 0.000 0.902 377 S HN -0.020 nan 8.310 nan 0.000 0.440 378 L N 0.047 121.169 121.223 -0.168 0.000 2.072 378 L HA -0.052 4.289 4.340 0.001 0.000 0.205 378 L C 2.471 179.276 176.870 -0.109 0.000 1.079 378 L CA 1.334 55.928 54.840 -0.409 0.000 0.752 378 L CB -0.733 40.578 42.059 -1.247 0.000 0.906 378 L HN 0.584 nan 8.230 nan 0.000 0.436 379 W N 1.045 122.231 121.300 -0.190 0.000 2.333 379 W HA -0.346 4.315 4.660 0.001 0.000 0.316 379 W C 2.518 179.072 176.519 0.058 0.000 1.215 379 W CA 1.658 58.995 57.345 -0.013 0.000 1.278 379 W CB -0.403 29.013 29.460 -0.074 0.000 1.154 379 W HN 0.134 nan 8.180 nan 0.000 0.486 380 F N 1.526 121.391 119.950 -0.140 0.000 2.091 380 F HA -0.315 4.212 4.527 0.001 0.000 0.299 380 F C 2.197 177.934 175.800 -0.106 0.000 1.103 380 F CA 2.229 60.108 58.000 -0.202 0.000 1.228 380 F CB -0.850 38.033 39.000 -0.194 0.000 0.984 380 F HN -0.253 nan 8.300 nan 0.000 0.477 381 I N 0.600 121.251 120.570 0.134 0.000 2.252 381 I HA -0.266 3.905 4.170 0.001 0.000 0.245 381 I C 2.395 178.564 176.117 0.087 0.000 1.102 381 I CA 1.434 62.800 61.300 0.109 0.000 1.385 381 I CB -1.406 36.880 38.000 0.476 0.000 1.064 381 I HN 0.242 nan 8.210 nan 0.000 0.414 382 K N 0.942 121.524 120.400 0.303 0.000 2.032 382 K HA -0.222 4.098 4.320 0.001 0.000 0.209 382 K C 2.116 178.675 176.600 -0.068 0.000 1.048 382 K CA 1.531 58.009 56.287 0.318 0.000 0.927 382 K CB -0.033 32.688 32.500 0.369 0.000 0.712 382 K HN 0.334 nan 8.250 nan 0.000 0.441 383 Q N -0.311 119.226 119.800 -0.439 0.000 2.096 383 Q HA -0.173 4.167 4.340 0.001 0.000 0.204 383 Q C 2.129 177.895 176.000 -0.390 0.000 0.982 383 Q CA 1.584 57.082 55.803 -0.509 0.000 0.850 383 Q CB -0.179 28.134 28.738 -0.707 0.000 0.901 383 Q HN 0.456 nan 8.270 nan 0.000 0.422 384 A N 0.318 122.823 122.820 -0.524 0.000 1.902 384 A HA -0.176 4.144 4.320 0.001 0.000 0.217 384 A C 1.727 179.146 177.584 -0.276 0.000 1.181 384 A CA 1.173 52.925 52.037 -0.475 0.000 0.623 384 A CB -0.689 17.939 19.000 -0.620 0.000 0.818 384 A HN 0.292 nan 8.150 nan 0.000 0.443 385 F N 0.771 120.622 119.950 -0.165 0.000 2.171 385 F HA -0.115 4.413 4.527 0.001 0.000 0.300 385 F C 1.601 177.349 175.800 -0.086 0.000 1.090 385 F CA 1.532 59.460 58.000 -0.121 0.000 1.293 385 F CB -0.347 38.577 39.000 -0.127 0.000 1.013 385 F HN 0.240 nan 8.300 nan 0.000 0.486 386 D N -0.989 119.461 120.400 0.083 0.000 2.355 386 D HA 0.131 4.772 4.640 0.001 0.000 0.218 386 D C 2.005 178.293 176.300 -0.019 0.000 1.004 386 D CA 1.041 55.053 54.000 0.021 0.000 0.880 386 D CB -0.267 40.520 40.800 -0.021 0.000 0.911 386 D HN 0.301 nan 8.370 nan 0.000 0.528 387 G N 0.951 109.720 108.800 -0.051 0.000 2.137 387 G HA2 -0.272 3.689 3.960 0.001 0.000 0.237 387 G HA3 -0.272 3.689 3.960 0.001 0.000 0.237 387 G C 0.811 175.671 174.900 -0.066 0.000 1.002 387 G CA 0.839 45.909 45.100 -0.050 0.000 0.702 387 G HN 0.415 nan 8.290 nan 0.000 0.515 388 T N -1.797 112.688 114.554 -0.114 0.000 3.252 388 T HA 0.474 4.824 4.350 0.001 0.000 0.286 388 T C 0.841 175.462 174.700 -0.132 0.000 1.013 388 T CA 0.831 62.871 62.100 -0.099 0.000 0.914 388 T CB 0.243 69.053 68.868 -0.096 0.000 1.131 388 T HN 1.264 nan 8.240 nan 0.000 0.529 389 T N 2.445 116.899 114.554 -0.167 0.000 2.888 389 T HA 0.378 4.729 4.350 0.001 0.000 0.301 389 T C -2.099 172.596 174.700 -0.007 0.000 1.001 389 T CA -1.173 60.837 62.100 -0.149 0.000 1.147 389 T CB 0.251 68.988 68.868 -0.219 0.000 0.931 389 T HN 0.178 nan 8.240 nan 0.000 0.541 390 P HA 0.217 nan 4.420 nan 0.000 0.271 390 P C -0.427 176.930 177.300 0.095 0.000 1.218 390 P CA -0.603 62.546 63.100 0.082 0.000 0.780 390 P CB 0.677 32.447 31.700 0.116 0.000 0.901 391 K N 1.701 122.145 120.400 0.073 0.000 2.339 391 K HA 0.347 4.667 4.320 0.001 0.000 0.286 391 K C -0.294 176.351 176.600 0.075 0.000 1.050 391 K CA -0.508 55.820 56.287 0.068 0.000 0.956 391 K CB 0.237 32.766 32.500 0.048 0.000 0.990 391 K HN 0.387 nan 8.250 nan 0.000 0.475 392 V N 1.827 121.789 119.914 0.080 0.000 3.007 392 V HA 0.457 4.577 4.120 0.001 0.000 0.311 392 V C -0.429 175.699 176.094 0.057 0.000 1.120 392 V CA -1.284 61.062 62.300 0.078 0.000 0.980 392 V CB 1.509 33.397 31.823 0.108 0.000 1.033 392 V HN 0.511 nan 8.190 nan 0.000 0.429 393 I N 2.508 123.106 120.570 0.046 0.000 2.581 393 I HA 0.105 4.276 4.170 0.001 0.000 0.285 393 I C 1.022 177.158 176.117 0.031 0.000 1.129 393 I CA 0.013 61.331 61.300 0.030 0.000 1.397 393 I CB 0.106 38.121 38.000 0.025 0.000 1.399 393 I HN 0.968 nan 8.210 nan 0.000 0.537 394 c N 6.971 125.577 118.600 0.011 0.000 2.419 394 c HA 0.278 4.848 4.570 0.001 0.000 0.398 394 c C 1.635 175.719 174.090 -0.010 0.000 1.498 394 c CA 1.310 57.635 56.329 -0.008 0.000 1.494 394 c CB -1.560 40.921 42.510 -0.050 0.000 2.485 394 c HN 1.123 nan 8.230 nan 0.000 0.608 395 G N 4.533 113.344 108.800 0.018 0.000 2.175 395 G HA2 -0.207 3.754 3.960 0.001 0.000 0.244 395 G HA3 -0.207 3.754 3.960 0.001 0.000 0.244 395 G C 0.123 175.119 174.900 0.160 0.000 0.982 395 G CA 0.355 45.475 45.100 0.034 0.000 0.641 395 G HN 0.936 nan 8.290 nan 0.000 0.527 396 T N 3.944 118.568 114.554 0.117 0.000 2.829 396 T HA 0.423 4.774 4.350 0.001 0.000 0.293 396 T C -1.905 172.864 174.700 0.116 0.000 0.970 396 T CA 0.122 62.284 62.100 0.103 0.000 1.168 396 T CB 1.404 70.310 68.868 0.063 0.000 0.911 396 T HN 0.263 nan 8.240 nan 0.000 0.535 397 P HA 0.346 nan 4.420 nan 0.000 0.273 397 P C -0.752 176.491 177.300 -0.094 0.000 1.319 397 P CA -0.074 62.996 63.100 -0.049 0.000 0.885 397 P CB -0.089 31.592 31.700 -0.031 0.000 1.015 398 I N 6.433 126.932 120.570 -0.118 0.000 2.439 398 I HA 0.287 4.458 4.170 0.001 0.000 0.285 398 I C -2.319 173.693 176.117 -0.176 0.000 1.021 398 I CA -2.989 58.254 61.300 -0.095 0.000 1.091 398 I CB 2.478 40.471 38.000 -0.013 0.000 1.242 398 I HN 0.015 nan 8.210 nan 0.000 0.439 399 P HA 0.108 nan 4.420 nan 0.000 0.266 399 P C -0.545 176.671 177.300 -0.141 0.000 1.215 399 P CA -0.165 62.718 63.100 -0.361 0.000 0.763 399 P CB 0.658 32.224 31.700 -0.223 0.000 0.806 400 A N 5.609 128.381 122.820 -0.081 0.000 2.354 400 A HA 0.489 4.810 4.320 0.001 0.000 0.281 400 A C -0.083 177.605 177.584 0.173 0.000 1.174 400 A CA -0.238 51.867 52.037 0.113 0.000 0.828 400 A CB -0.280 18.870 19.000 0.251 0.000 1.099 400 A HN 0.394 nan 8.150 nan 0.000 0.516 401 I N 2.313 122.922 120.570 0.065 0.000 2.436 401 I HA 0.401 4.571 4.170 0.001 0.000 0.289 401 I C 0.712 176.802 176.117 -0.045 0.000 1.010 401 I CA -0.530 60.780 61.300 0.017 0.000 1.098 401 I CB 0.982 38.968 38.000 -0.024 0.000 1.266 401 I HN 0.702 nan 8.210 nan 0.000 0.434 402 A N 4.026 126.802 122.820 -0.072 0.000 2.488 402 A HA 0.509 4.829 4.320 0.001 0.000 0.249 402 A C 1.253 178.767 177.584 -0.116 0.000 1.083 402 A CA 0.859 52.826 52.037 -0.116 0.000 0.768 402 A CB -0.076 18.852 19.000 -0.119 0.000 1.017 402 A HN 1.441 nan 8.150 nan 0.000 0.496 403 G N 1.259 109.973 108.800 -0.145 0.000 2.241 403 G HA2 -0.266 3.694 3.960 0.001 0.000 0.244 403 G HA3 -0.266 3.694 3.960 0.001 0.000 0.244 403 G C 0.758 175.597 174.900 -0.102 0.000 0.998 403 G CA 0.650 45.675 45.100 -0.126 0.000 0.621 403 G HN 0.680 nan 8.290 nan 0.000 0.519 404 I N 0.380 120.897 120.570 -0.088 0.000 3.196 404 I HA 0.104 4.275 4.170 0.001 0.000 0.248 404 I C 2.713 178.799 176.117 -0.052 0.000 1.105 404 I CA 1.607 62.870 61.300 -0.061 0.000 1.482 404 I CB -0.287 37.685 38.000 -0.047 0.000 1.400 404 I HN 0.255 nan 8.210 nan 0.000 0.464 405 T N -2.111 112.418 114.554 -0.042 0.000 3.081 405 T HA 0.104 4.454 4.350 0.001 0.000 0.250 405 T C 0.694 175.378 174.700 -0.027 0.000 1.100 405 T CA 0.331 62.425 62.100 -0.010 0.000 1.038 405 T CB -0.436 68.447 68.868 0.024 0.000 0.962 405 T HN 0.431 nan 8.240 nan 0.000 0.516 406 T N -1.309 113.168 114.554 -0.129 0.000 2.865 406 T HA 0.681 5.031 4.350 0.001 0.000 0.294 406 T C -3.334 171.098 174.700 -0.448 0.000 1.119 406 T CA -2.119 59.783 62.100 -0.330 0.000 1.007 406 T CB 1.633 70.299 68.868 -0.337 0.000 1.225 406 T HN -0.191 nan 8.240 nan 0.000 0.515 407 P HA 0.200 nan 4.420 nan 0.000 0.271 407 P C 0.206 177.283 177.300 -0.373 0.000 1.244 407 P CA -0.334 62.429 63.100 -0.562 0.000 0.793 407 P CB 0.180 31.413 31.700 -0.778 0.000 0.984 408 S N 0.201 115.751 115.700 -0.249 0.000 2.569 408 S HA 0.135 4.606 4.470 0.001 0.000 0.274 408 S C 1.508 176.011 174.600 -0.161 0.000 1.353 408 S CA 0.121 58.218 58.200 -0.171 0.000 1.023 408 S CB -0.092 63.035 63.200 -0.121 0.000 0.876 408 S HN 0.525 nan 8.310 nan 0.000 0.540 409 A N 1.570 124.317 122.820 -0.122 0.000 1.917 409 A HA -0.164 4.157 4.320 0.001 0.000 0.219 409 A C 1.861 179.403 177.584 -0.070 0.000 1.182 409 A CA 2.037 54.014 52.037 -0.101 0.000 0.633 409 A CB -1.210 17.740 19.000 -0.084 0.000 0.819 409 A HN 0.906 nan 8.150 nan 0.000 0.448 410 D N -0.933 119.430 120.400 -0.061 0.000 2.117 410 D HA -0.124 4.516 4.640 0.001 0.000 0.198 410 D C 2.163 178.447 176.300 -0.026 0.000 0.982 410 D CA 1.464 55.443 54.000 -0.036 0.000 0.828 410 D CB -0.434 40.344 40.800 -0.037 0.000 0.967 410 D HN 0.616 nan 8.370 nan 0.000 0.464 411 Q N 0.032 119.797 119.800 -0.059 0.000 2.045 411 Q HA -0.130 4.211 4.340 0.001 0.000 0.206 411 Q C 2.285 178.280 176.000 -0.008 0.000 0.991 411 Q CA 1.321 57.086 55.803 -0.065 0.000 0.851 411 Q CB 0.039 28.682 28.738 -0.159 0.000 0.911 411 Q HN 0.127 nan 8.270 nan 0.000 0.418 412 V N 0.009 119.908 119.914 -0.026 0.000 2.346 412 V HA -0.183 3.938 4.120 0.001 0.000 0.244 412 V C 1.926 178.184 176.094 0.274 0.000 1.037 412 V CA 1.476 63.849 62.300 0.123 0.000 1.029 412 V CB -0.302 31.526 31.823 0.007 0.000 0.663 412 V HN 0.339 nan 8.190 nan 0.000 0.454 413 L N -0.497 120.807 121.223 0.136 0.000 2.463 413 L HA 0.497 4.837 4.340 0.001 0.000 0.219 413 L C 1.130 178.112 176.870 0.186 0.000 1.088 413 L CA 0.690 55.657 54.840 0.211 0.000 0.849 413 L CB -0.413 41.668 42.059 0.037 0.000 1.012 413 L HN 0.523 nan 8.230 nan 0.000 0.468 414 G N -0.256 108.600 108.800 0.093 0.000 2.712 414 G HA2 -0.227 3.734 3.960 0.001 0.000 0.686 414 G HA3 -0.227 3.734 3.960 0.001 0.000 0.686 414 G C 0.439 175.349 174.900 0.017 0.000 1.321 414 G CA -0.230 44.895 45.100 0.042 0.000 0.813 414 G HN 0.047 nan 8.290 nan 0.000 0.599 415 S N 0.015 115.714 115.700 -0.001 0.000 2.370 415 S HA -0.151 4.320 4.470 0.001 0.000 0.226 415 S C 1.880 176.473 174.600 -0.011 0.000 1.033 415 S CA 1.792 59.986 58.200 -0.010 0.000 1.011 415 S CB -0.261 62.931 63.200 -0.014 0.000 0.852 415 S HN 0.864 nan 8.310 nan 0.000 0.457 416 D N 1.771 122.165 120.400 -0.010 0.000 2.088 416 D HA -0.085 4.556 4.640 0.001 0.000 0.191 416 D C 1.881 178.174 176.300 -0.013 0.000 0.992 416 D CA 1.221 55.213 54.000 -0.014 0.000 0.831 416 D CB -0.441 40.348 40.800 -0.018 0.000 0.973 416 D HN 0.311 nan 8.370 nan 0.000 0.447 417 L N 0.261 121.483 121.223 -0.001 0.000 2.083 417 L HA -0.140 4.200 4.340 0.001 0.000 0.209 417 L C 2.666 179.525 176.870 -0.018 0.000 1.083 417 L CA 1.206 56.047 54.840 0.001 0.000 0.752 417 L CB -0.394 41.695 42.059 0.050 0.000 0.899 417 L HN 0.048 nan 8.230 nan 0.000 0.433 418 A N -0.059 122.751 122.820 -0.017 0.000 1.930 418 A HA -0.186 4.135 4.320 0.001 0.000 0.217 418 A C 2.038 179.600 177.584 -0.036 0.000 1.175 418 A CA 1.623 53.638 52.037 -0.036 0.000 0.627 418 A CB -0.480 18.500 19.000 -0.035 0.000 0.815 418 A HN 0.407 nan 8.150 nan 0.000 0.443 419 N N 0.050 118.733 118.700 -0.027 0.000 2.166 419 N HA -0.170 4.570 4.740 0.001 0.000 0.186 419 N C 1.860 177.354 175.510 -0.028 0.000 1.019 419 N CA 1.583 54.618 53.050 -0.024 0.000 0.856 419 N CB -0.459 38.017 38.487 -0.019 0.000 0.993 419 N HN 0.669 nan 8.380 nan 0.000 0.426 420 Q N -0.077 119.704 119.800 -0.032 0.000 2.124 420 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 420 Q C 1.925 177.889 176.000 -0.059 0.000 0.977 420 Q CA 0.820 56.600 55.803 -0.039 0.000 0.850 420 Q CB -0.130 28.585 28.738 -0.039 0.000 0.901 420 Q HN 0.208 nan 8.270 nan 0.000 0.429 421 L N 0.919 122.099 121.223 -0.072 0.000 2.056 421 L HA -0.144 4.197 4.340 0.001 0.000 0.207 421 L C 2.022 178.841 176.870 -0.085 0.000 1.078 421 L CA 1.673 56.451 54.840 -0.104 0.000 0.749 421 L CB -0.253 41.741 42.059 -0.108 0.000 0.901 421 L HN 0.020 nan 8.230 nan 0.000 0.433 422 R N -1.009 119.460 120.500 -0.053 0.000 2.127 422 R HA -0.106 4.234 4.340 0.001 0.000 0.238 422 R C 2.135 178.425 176.300 -0.016 0.000 1.134 422 R CA 1.399 57.482 56.100 -0.029 0.000 0.975 422 R CB -0.548 29.740 30.300 -0.021 0.000 0.865 422 R HN 0.382 nan 8.270 nan 0.000 0.447 423 S N 1.262 116.950 115.700 -0.020 0.000 2.442 423 S HA -0.031 4.440 4.470 0.001 0.000 0.236 423 S C 1.855 176.464 174.600 0.016 0.000 1.007 423 S CA 0.785 58.984 58.200 -0.001 0.000 0.965 423 S CB -0.108 63.091 63.200 -0.003 0.000 0.773 423 S HN 0.255 nan 8.310 nan 0.000 0.504 424 L N 1.230 122.444 121.223 -0.016 0.000 2.275 424 L HA -0.018 4.323 4.340 0.001 0.000 0.215 424 L C 0.871 177.822 176.870 0.135 0.000 1.119 424 L CA 0.334 55.187 54.840 0.021 0.000 0.790 424 L CB -0.575 41.332 42.059 -0.253 0.000 0.919 424 L HN 0.207 nan 8.230 nan 0.000 0.443 425 D N 0.601 121.047 120.400 0.076 0.000 2.487 425 D HA 0.135 4.775 4.640 0.001 0.000 0.243 425 D C 1.262 177.624 176.300 0.104 0.000 1.154 425 D CA 1.243 55.300 54.000 0.095 0.000 0.876 425 D CB 0.917 41.751 40.800 0.055 0.000 1.161 425 D HN 0.301 nan 8.370 nan 0.000 0.478 426 G N 3.726 112.594 108.800 0.113 0.000 2.245 426 G HA2 -0.302 3.658 3.960 0.001 0.000 0.264 426 G HA3 -0.302 3.658 3.960 0.001 0.000 0.264 426 G C 0.453 175.406 174.900 0.087 0.000 0.985 426 G CA 0.567 45.715 45.100 0.080 0.000 0.625 426 G HN 0.589 nan 8.290 nan 0.000 0.536 427 K N 0.808 121.296 120.400 0.147 0.000 2.237 427 K HA 0.353 4.674 4.320 0.001 0.000 0.270 427 K C 0.491 177.143 176.600 0.087 0.000 1.015 427 K CA -0.548 55.827 56.287 0.147 0.000 0.949 427 K CB 0.464 33.086 32.500 0.203 0.000 0.976 427 K HN 0.132 nan 8.250 nan 0.000 0.472 428 Q N 1.364 121.182 119.800 0.031 0.000 2.330 428 Q HA 0.010 4.350 4.340 0.001 0.000 0.279 428 Q C 0.337 176.268 176.000 -0.115 0.000 1.024 428 Q CA 0.213 55.983 55.803 -0.054 0.000 0.900 428 Q CB 1.119 29.855 28.738 -0.004 0.000 1.221 428 Q HN 0.759 nan 8.270 nan 0.000 0.396 429 S N 0.203 115.701 115.700 -0.336 0.000 2.713 429 S HA 0.509 4.980 4.470 0.001 0.000 0.277 429 S C 1.100 175.705 174.600 0.010 0.000 1.168 429 S CA -0.212 57.772 58.200 -0.360 0.000 0.994 429 S CB 1.073 63.886 63.200 -0.646 0.000 1.054 429 S HN 0.613 nan 8.310 nan 0.000 0.555 430 A N 0.124 123.019 122.820 0.125 0.000 2.032 430 A HA 0.012 4.332 4.320 0.001 0.000 0.221 430 A C 1.464 178.997 177.584 -0.085 0.000 1.165 430 A CA 1.355 53.400 52.037 0.013 0.000 0.645 430 A CB -1.157 17.851 19.000 0.012 0.000 0.807 430 A HN 0.788 nan 8.150 nan 0.000 0.453 431 F N -0.923 119.061 119.950 0.058 0.000 2.797 431 F HA 0.330 4.857 4.527 0.001 0.000 0.302 431 F C 1.882 177.804 175.800 0.203 0.000 1.130 431 F CA 0.667 58.765 58.000 0.163 0.000 1.387 431 F CB 0.018 39.041 39.000 0.039 0.000 1.107 431 F HN 0.362 nan 8.300 nan 0.000 0.577 432 G N 0.717 109.636 108.800 0.198 0.000 2.162 432 G HA2 -0.296 3.665 3.960 0.001 0.000 0.260 432 G HA3 -0.296 3.665 3.960 0.001 0.000 0.260 432 G C 0.226 175.184 174.900 0.097 0.000 0.976 432 G CA -0.126 45.043 45.100 0.115 0.000 0.655 432 G HN 0.369 nan 8.290 nan 0.000 0.533 433 K N 1.062 121.513 120.400 0.085 0.000 2.259 433 K HA 0.534 4.855 4.320 0.001 0.000 0.252 433 K C -2.618 173.901 176.600 -0.135 0.000 0.936 433 K CA -2.152 54.148 56.287 0.020 0.000 0.810 433 K CB 2.816 35.361 32.500 0.076 0.000 1.143 433 K HN 0.020 nan 8.250 nan 0.000 0.427 434 P HA 0.049 nan 4.420 nan 0.000 0.275 434 P C -0.669 176.505 177.300 -0.211 0.000 1.227 434 P CA -0.174 62.836 63.100 -0.149 0.000 0.781 434 P CB 0.347 32.028 31.700 -0.030 0.000 0.906 435 F N 1.164 121.105 119.950 -0.016 0.000 2.539 435 F HA 0.373 4.900 4.527 0.001 0.000 0.340 435 F C 1.810 177.564 175.800 -0.077 0.000 1.185 435 F CA 1.099 59.055 58.000 -0.073 0.000 1.333 435 F CB -0.320 38.644 39.000 -0.060 0.000 1.152 435 F HN 0.394 nan 8.300 nan 0.000 0.602 436 G N 0.186 109.034 108.800 0.079 0.000 3.122 436 G HA2 0.658 4.619 3.960 0.001 0.000 0.180 436 G HA3 0.658 4.619 3.960 0.001 0.000 0.180 436 G C -2.853 172.082 174.900 0.058 0.000 1.279 436 G CA -1.151 43.974 45.100 0.042 0.000 0.987 436 G HN 0.391 nan 8.290 nan 0.000 0.589 437 P HA 0.346 nan 4.420 nan 0.000 0.282 437 P C 0.781 178.196 177.300 0.191 0.000 1.287 437 P CA -0.553 62.626 63.100 0.132 0.000 0.792 437 P CB 1.574 33.353 31.700 0.132 0.000 1.163 438 I N -1.008 119.623 120.570 0.102 0.000 2.315 438 I HA -0.097 4.074 4.170 0.001 0.000 0.248 438 I C 1.273 177.453 176.117 0.105 0.000 1.117 438 I CA 1.559 62.904 61.300 0.076 0.000 1.404 438 I CB -0.484 37.509 38.000 -0.012 0.000 1.071 438 I HN 0.452 nan 8.210 nan 0.000 0.419 439 T N -1.764 112.794 114.554 0.007 0.000 2.887 439 T HA 0.469 4.820 4.350 0.001 0.000 0.288 439 T C -2.707 171.727 174.700 -0.445 0.000 1.021 439 T CA -2.329 59.638 62.100 -0.222 0.000 1.000 439 T CB 1.768 70.543 68.868 -0.155 0.000 1.034 439 T HN -0.273 nan 8.240 nan 0.000 0.467 440 P HA 0.282 nan 4.420 nan 0.000 0.268 440 P C -2.053 175.090 177.300 -0.262 0.000 1.204 440 P CA -0.692 61.929 63.100 -0.799 0.000 0.768 440 P CB -0.611 30.627 31.700 -0.769 0.000 0.842 441 P HA 0.000 nan 4.420 nan 0.000 0.216 441 P CA 0.000 63.078 63.100 -0.037 0.000 0.800 441 P CB 0.000 31.709 31.700 0.014 0.000 0.726